5,5-dimethylbicyclo[4.1.0]heptan-2-ol

C9H16O — CID 11116155

IUPAC5,5-dimethylbicyclo[4.1.0]heptan-2-ol
SMILESCC1(C)CCC(O)C2CC21
InChIInChI=1S/C9H16O/c1-9(2)4-3-8(10)6-5-7(6)9/h6-8,10H,3-5H2,1-2H3
InChIKeyQSGMKHMWDYAMAR-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds

About 5,5-dimethylbicyclo[4.1.0]heptan-2-ol

5,5-dimethylbicyclo[4.1.0]heptan-2-ol (PubChem CID 11116155) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 5,5-dimethylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name5,5-dimethylbicyclo[4.1.0]heptan-2-ol
PubChem CID11116155
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name5,5-dimethylbicyclo[4.1.0]heptan-2-ol
SMILESCC1(C)CCC(O)C2CC21
InChIInChI=1S/C9H16O/c1-9(2)4-3-8(10)6-5-7(6)9/h6-8,10H,3-5H2,1-2H3
InChIKeyQSGMKHMWDYAMAR-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 5,5-dimethylbicyclo[4.1.0]heptan-2-ol (CID 11116155) is 5,5-dimethylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 5,5-dimethylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 5,5-dimethylbicyclo[4.1.0]heptan-2-ol is CC1(C)CCC(O)C2CC21.
What is the InChIKey of 5,5-dimethylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is QSGMKHMWDYAMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)4-3-8(10)6-5-7(6)9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 5,5-dimethylbicyclo[4.1.0]heptan-2-ol?
5,5-dimethylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 11116155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).