1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C7H8O — CID 10240782

IUPAC1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC12C=CC=CC1O2
InChIInChI=1S/C7H8O/c1-7-5-3-2-4-6(7)8-7/h2-6H,1H3
InChIKeyFHYLEJSGUQBKRQ-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.27
Rot. Bonds

About 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 10240782) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID10240782
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC12C=CC=CC1O2
InChIInChI=1S/C7H8O/c1-7-5-3-2-4-6(7)8-7/h2-6H,1H3
InChIKeyFHYLEJSGUQBKRQ-UHFFFAOYSA-N
XLogP1.27
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzene oxide
CID 104944
7-Oxabicyclo(4.1.0)hepta-2,4-diene, 1-vinyl-
CID 149629
1-Vinylbenzene-3,4-oxide
CID 3035209
Ccris 2979
CID 10942345
1,6-Dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 12966232
2,2-dimethyl-3,6-dihydro-2H-pyran
CID 12536733
Allylbenzene oxide
CID 21963701
1,2-Epoxy-1-phenyl-ethane
CID 22121529
Oxirane,2-(4-methylphenyl)-
CID 57347851
1,3,5-Trimethyl-7-oxabicyclo(4.1.0)hepta-2,4-diene
CID 71361380
1,4-Dimethylbenzene oxide
CID 85791500
2,6-Dimethylphenylene oxide
CID 87133361

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 10240782) is 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is CC12C=CC=CC1O2.
What is the InChIKey of 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is FHYLEJSGUQBKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-7-5-3-2-4-6(7)8-7/h2-6H,1H3.
What are the key properties of 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 108.14 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 10240782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).