6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol

C7H12O2 — CID 45120444

IUPAC6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESCC12CCC(O)CC1O2
InChIInChI=1S/C7H12O2/c1-7-3-2-5(8)4-6(7)9-7/h5-6,8H,2-4H2,1H3
InChIKeyHBYUFURHUIOACM-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.69
Rot. Bonds

About 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol

6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol (PubChem CID 45120444) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol
PubChem CID45120444
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESCC12CCC(O)CC1O2
InChIInChI=1S/C7H12O2/c1-7-3-2-5(8)4-6(7)9-7/h5-6,8H,2-4H2,1H3
InChIKeyHBYUFURHUIOACM-UHFFFAOYSA-N
XLogP0.69
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.69
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 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The IUPAC name of 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol (CID 45120444) is 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol is CC12CCC(O)CC1O2.
What is the InChIKey of 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The InChIKey is HBYUFURHUIOACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7-3-2-5(8)4-6(7)9-7/h5-6,8H,2-4H2,1H3.
What are the key properties of 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol?
6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-oxabicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 45120444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).