6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol

C7H12O2 — CID 130146998

IUPAC6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
SMILESCC1CC2C(O)OCC12
InChIInChI=1S/C7H12O2/c1-4-2-5-6(4)3-9-7(5)8/h4-8H,2-3H2,1H3
InChIKeyWCLKOMKFNASBBW-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.61
Rot. Bonds

About 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol

6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol (PubChem CID 130146998) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol.

Molecular Properties

Compound Name6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
PubChem CID130146998
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
SMILESCC1CC2C(O)OCC12
InChIInChI=1S/C7H12O2/c1-4-2-5-6(4)3-9-7(5)8/h4-8H,2-3H2,1H3
InChIKeyWCLKOMKFNASBBW-UHFFFAOYSA-N
XLogP0.61
TPSA29.46 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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol?
The IUPAC name of 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol (CID 130146998) is 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol.
What is the SMILES notation for 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol?
The canonical SMILES for 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol is CC1CC2C(O)OCC12.
What is the InChIKey of 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol?
The InChIKey is WCLKOMKFNASBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-2-5-6(4)3-9-7(5)8/h4-8H,2-3H2,1H3.
What are the key properties of 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol?
6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol has a molecular weight of 128.17 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol is sourced from PubChem (CID 130146998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).