bicyclo[4.1.0]heptan-2-ol

C7H12O — CID 533432

IUPACbicyclo[4.1.0]heptan-2-ol
SMILESOC1CCCC2CC12
InChIInChI=1S/C7H12O/c8-7-3-1-2-5-4-6(5)7/h5-8H,1-4H2
InChIKeyYUZVFUMVDCKMOI-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.17
Rot. Bonds

About bicyclo[4.1.0]heptan-2-ol

bicyclo[4.1.0]heptan-2-ol (PubChem CID 533432) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is bicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Namebicyclo[4.1.0]heptan-2-ol
PubChem CID533432
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namebicyclo[4.1.0]heptan-2-ol
SMILESOC1CCCC2CC12
InChIInChI=1S/C7H12O/c8-7-3-1-2-5-4-6(5)7/h5-8H,1-4H2
InChIKeyYUZVFUMVDCKMOI-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]heptan-2-ol?
The IUPAC name of bicyclo[4.1.0]heptan-2-ol (CID 533432) is bicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for bicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for bicyclo[4.1.0]heptan-2-ol is OC1CCCC2CC12.
What is the InChIKey of bicyclo[4.1.0]heptan-2-ol?
The InChIKey is YUZVFUMVDCKMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c8-7-3-1-2-5-4-6(5)7/h5-8H,1-4H2.
What are the key properties of bicyclo[4.1.0]heptan-2-ol?
bicyclo[4.1.0]heptan-2-ol has a molecular weight of 112.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 533432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).