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

C7H8O — CID 10329262

IUPAC2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=CC2OC12
InChIInChI=1S/C7H8O/c1-5-3-2-4-6-7(5)8-6/h2-4,6-7H,1H3
InChIKeyOJFWVXMHKRVKJB-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.27
Rot. Bonds

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

2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 10329262) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID10329262
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=CC2OC12
InChIInChI=1S/C7H8O/c1-5-3-2-4-6-7(5)8-6/h2-4,6-7H,1H3
InChIKeyOJFWVXMHKRVKJB-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 10329262) is 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is CC1=CC=CC2OC12.
What is the InChIKey of 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is OJFWVXMHKRVKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-5-3-2-4-6-7(5)8-6/h2-4,6-7H,1H3.
What are the key properties of 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
2-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 2-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 10329262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).