5-methyl-6-oxabicyclo[3.1.0]hex-2-ene

C6H8O — CID 154095196

IUPAC5-methyl-6-oxabicyclo[3.1.0]hex-2-ene
SMILESCC12CC=CC1O2
InChIInChI=1S/C6H8O/c1-6-4-2-3-5(6)7-6/h2-3,5H,4H2,1H3
InChIKeySTOVNZCPWDUYFS-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.10
Rot. Bonds

About 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene

5-methyl-6-oxabicyclo[3.1.0]hex-2-ene (PubChem CID 154095196) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name5-methyl-6-oxabicyclo[3.1.0]hex-2-ene
PubChem CID154095196
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name5-methyl-6-oxabicyclo[3.1.0]hex-2-ene
SMILESCC12CC=CC1O2
InChIInChI=1S/C6H8O/c1-6-4-2-3-5(6)7-6/h2-3,5H,4H2,1H3
InChIKeySTOVNZCPWDUYFS-UHFFFAOYSA-N
XLogP1.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3S)-3,4,4-trimethylcyclopentene
CID 145186041
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
(5,5-dimethylcyclohex-2-en-1-yl)-trimethylsilane
CID 22314854
8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine
CID 135291092
(1R,5S)-5-methylbicyclo[3.2.0]hept-2-ene
CID 141236422
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-oxabicyclo[3.1.0]hex-3-en-1-yl)carbamate
CID 123812432
(1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one
CID 101170815
1,5-dimethylcyclohex-3-en-1-ol
CID 101312152
4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene
CID 12536948
6a-methyl-2,3,3a,6-tetrahydro-1H-pentalene
CID 145030018
9,10-dimethylspiro[4.5]dec-7-ene
CID 140556870
1,3-bis(2,6,6-trimethylcyclohex-3-en-1-yl)propan-2-one
CID 139957728

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene?
The IUPAC name of 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene (CID 154095196) is 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene is CC12CC=CC1O2.
What is the InChIKey of 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene?
The InChIKey is STOVNZCPWDUYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-6-4-2-3-5(6)7-6/h2-3,5H,4H2,1H3.
What are the key properties of 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene?
5-methyl-6-oxabicyclo[3.1.0]hex-2-ene has a molecular weight of 96.13 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 154095196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).