6-methyl-7-oxabicyclo[4.1.0]hept-2-ene

C7H10O — CID 87645235

IUPAC6-methyl-7-oxabicyclo[4.1.0]hept-2-ene
SMILESCC12CCC=CC1O2
InChIInChI=1S/C7H10O/c1-7-5-3-2-4-6(7)8-7/h2,4,6H,3,5H2,1H3
InChIKeyPXINLQYJQMHAHD-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.49
Rot. Bonds

About 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene

6-methyl-7-oxabicyclo[4.1.0]hept-2-ene (PubChem CID 87645235) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name6-methyl-7-oxabicyclo[4.1.0]hept-2-ene
PubChem CID87645235
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name6-methyl-7-oxabicyclo[4.1.0]hept-2-ene
SMILESCC12CCC=CC1O2
InChIInChI=1S/C7H10O/c1-7-5-3-2-4-6(7)8-7/h2,4,6H,3,5H2,1H3
InChIKeyPXINLQYJQMHAHD-UHFFFAOYSA-N
XLogP1.49
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.49
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

7-Oxabicyclo[4.1.0]hept-2-ene
CID 160866
3,4-Epoxycyclohexene, (+-)-
CID 11094544
alpha-Phellandrene epoxide
CID 527087
1-Oxaspiro[2.5]oct-4-ene
CID 13530219
1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 15577855
(1R,6S)-7-oxabicyclo[4.1.0]hept-2-ene
CID 642958
Allylbenzene oxide
CID 21963701
1,2-Epoxy-1-phenyl-ethane
CID 22121529
2,6-Dimethylphenylene oxide
CID 87133361
1,2-Epoxyphenylpropane
CID 129667611
3-Vinyltoluene oxide
CID 129717860
1-Ethyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 139242868

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene?
The IUPAC name of 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene (CID 87645235) is 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene is CC12CCC=CC1O2.
What is the InChIKey of 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene?
The InChIKey is PXINLQYJQMHAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-7-5-3-2-4-6(7)8-7/h2,4,6H,3,5H2,1H3.
What are the key properties of 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene?
6-methyl-7-oxabicyclo[4.1.0]hept-2-ene has a molecular weight of 110.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-oxabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 87645235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).