7,7-dimethylbicyclo[4.1.0]heptan-3-ol

C9H16O — CID 83670031

IUPAC7,7-dimethylbicyclo[4.1.0]heptan-3-ol
SMILESCC1(C)C2CCC(O)CC21
InChIInChI=1S/C9H16O/c1-9(2)7-4-3-6(10)5-8(7)9/h6-8,10H,3-5H2,1-2H3
InChIKeyPQKVVIGNGCACJY-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds

About 7,7-dimethylbicyclo[4.1.0]heptan-3-ol

7,7-dimethylbicyclo[4.1.0]heptan-3-ol (PubChem CID 83670031) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 7,7-dimethylbicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name7,7-dimethylbicyclo[4.1.0]heptan-3-ol
PubChem CID83670031
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name7,7-dimethylbicyclo[4.1.0]heptan-3-ol
SMILESCC1(C)C2CCC(O)CC21
InChIInChI=1S/C9H16O/c1-9(2)7-4-3-6(10)5-8(7)9/h6-8,10H,3-5H2,1-2H3
InChIKeyPQKVVIGNGCACJY-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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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylbicyclo[4.1.0]heptan-3-ol?
The IUPAC name of 7,7-dimethylbicyclo[4.1.0]heptan-3-ol (CID 83670031) is 7,7-dimethylbicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for 7,7-dimethylbicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for 7,7-dimethylbicyclo[4.1.0]heptan-3-ol is CC1(C)C2CCC(O)CC21.
What is the InChIKey of 7,7-dimethylbicyclo[4.1.0]heptan-3-ol?
The InChIKey is PQKVVIGNGCACJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)7-4-3-6(10)5-8(7)9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 7,7-dimethylbicyclo[4.1.0]heptan-3-ol?
7,7-dimethylbicyclo[4.1.0]heptan-3-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 7,7-dimethylbicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 83670031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).