Substances (GSRS)

1,4-Dimethyl-9-oxabicyclo[6.1.0]non-4-ene

Also: 9-Oxabicyclo[6.1.0]non-4-ene, 1,4-dimethyl-

chemicalUNII 5UK8HLP3N8

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

d170206b-d324-4d0c-a170-31b47ad5f0c7

Version

UNII

5UK8HLP3N8

Codes

Uuid
17aeded3-e188-4a21-9ab7-204388d858f8
Code
5UK8HLP3N8
Type
PRIMARY
Code system
FDA UNII
Uuid
50e006e0-ced7-4ddb-9fe6-d2d3d14f9f88
Code
94231-79-5
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=94231-79-5
Code system
CAS
References
c5090273-c583-463c-a036-7649287a22dc, e0c51f0c-9c3e-469f-a47c-c5000b169bb2
Uuid
8b9d50f1-d99f-06df-5ff4-f7b5f1454976
Code
23092815
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/23092815
Code system
PUBCHEM
References
3fa9303b-1c1c-20bb-25ba-7714043ebdbd
Uuid
55f0955a-e2cc-88cb-801e-6d91ea0682d2
Code
DTXSID601271210
Type
PRIMARY
Url
https://comptox.epa.gov/dashboard/chemical/details/DTXSID601271210
Code system
EPA CompTox
References
63141a52-b7aa-2d7d-6468-f3f2805e0fda

Names

Uuid
62c08969-83f9-4988-bc36-5f857afbe3d1
Name
1,4-Dimethyl-9-oxabicyclo[6.1.0]non-4-ene
StdName
1,4-DIMETHYL-9-OXABICYCLO(6.1.0)NON-4-ENE
Type
sys
Preferred
false
Display name
true
Languages
en
References
c5090273-c583-463c-a036-7649287a22dc
Uuid
0a93c362-efc8-4572-a9bd-13f27abb3493
Name
9-Oxabicyclo[6.1.0]non-4-ene, 1,4-dimethyl-
StdName
9-OXABICYCLO(6.1.0)NON-4-ENE, 1,4-DIMETHYL-
Type
sys
Preferred
false
Display name
false
Languages
en
References
e0c51f0c-9c3e-469f-a47c-c5000b169bb2

References

Uuid
3fa9303b-1c1c-20bb-25ba-7714043ebdbd
Citation
PUBCHEM
Doc type
PUBCHEM
Public domain
true
Uuid
c5090273-c583-463c-a036-7649287a22dc
Citation
CHEMID
Doc type
CHEMID
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
e0c51f0c-9c3e-469f-a47c-c5000b169bb2
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Uuid
63141a52-b7aa-2d7d-6468-f3f2805e0fda
Citation
EPA CompTox
Doc type
EPA
Public domain
true

Moieties

Uuid
92efd85e-ed90-48de-bc7f-a2fb565a66f6
ID
92efd85e-ed90-48de-bc7f-a2fb565a66f6
Smiles
C/C/1=C/CCC2C(C)(CC1)O2
Formula
C10H16O
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
MIXED
Defined stereo
0
Ez centers
1
Molecular weight
152.2338
Optical activity
UNSPECIFIED
Stereo centers
2
Molfile
CDK 12102415172D 11 12 0 0 0 0 0 0 0 0999 V2000 22.7760 -7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8791 -8.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4391 -8.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5420 -7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5420 -5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4391 -4.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8791 -4.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7760 -5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9832 -5.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4250 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4250 -4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 1 10 1 0 0 0 0 8 11 1 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
1e3e0c53-e382-4af9-9ea4-6a5d7e07bfbd

Structure

ID: a65bf09a-23fc-49e5-9b63-35dc98c0d407
Smiles: C/C/1=C/CCC2C(C)(CC1)O2
Formula: C10H16O
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: MIXED
Defined stereo: 0
Ez centers: 1
Molecular weight: 152.2338
Optical activity: UNSPECIFIED
Stereo centers: 2
Molfile: JSDraw212102415172D 11 12 0 0 0 0 0 V2000 22.7760 -7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8791 -8.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4391 -8.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5420 -7.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5420 -5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4391 -4.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8791 -4.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7760 -5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9832 -5.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4250 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4250 -4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 1 10 1 0 0 0 0 8 11 1 0 0 0 0 M END
References: c5090273-c583-463c-a036-7649287a22dc

Modifications

Uuid: c8d91d4f-524a-470f-8e52-f8c3994b1a91

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.