5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol

C7H8O2 — CID 141452237

IUPAC5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol
SMILESCC1=CC=C(O)C2OC12
InChIInChI=1S/C7H8O2/c1-4-2-3-5(8)7-6(4)9-7/h2-3,6-8H,1H3
InChIKeyZLJQGVBFZARZHW-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.16
Rot. Bonds

About 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol

5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol (PubChem CID 141452237) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol.

Molecular Properties

Compound Name5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol
PubChem CID141452237
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol
SMILESCC1=CC=C(O)C2OC12
InChIInChI=1S/C7H8O2/c1-4-2-3-5(8)7-6(4)9-7/h2-3,6-8H,1H3
InChIKeyZLJQGVBFZARZHW-UHFFFAOYSA-N
XLogP1.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol?
The IUPAC name of 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol (CID 141452237) is 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol.
What is the SMILES notation for 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol?
The canonical SMILES for 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol is CC1=CC=C(O)C2OC12.
What is the InChIKey of 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol?
The InChIKey is ZLJQGVBFZARZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-4-2-3-5(8)7-6(4)9-7/h2-3,6-8H,1H3.
What are the key properties of 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol?
5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol has a molecular weight of 124.14 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-2-ol is sourced from PubChem (CID 141452237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).