8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one

C10H16O2 — CID 56638242

IUPAC8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one
SMILESCCC1C(=O)C2CCC(O)CC12
InChIInChI=1S/C10H16O2/c1-2-7-9-5-6(11)3-4-8(9)10(7)12/h6-9,11H,2-5H2,1H3
InChIKeyJQJUVWPXNDUPAV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds1

About 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one

8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one (PubChem CID 56638242) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one.

Molecular Properties

Compound Name8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one
PubChem CID56638242
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one
SMILESCCC1C(=O)C2CCC(O)CC12
InChIInChI=1S/C10H16O2/c1-2-7-9-5-6(11)3-4-8(9)10(7)12/h6-9,11H,2-5H2,1H3
InChIKeyJQJUVWPXNDUPAV-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one?
The IUPAC name of 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one (CID 56638242) is 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one.
What is the SMILES notation for 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one?
The canonical SMILES for 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one is CCC1C(=O)C2CCC(O)CC12.
What is the InChIKey of 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one?
The InChIKey is JQJUVWPXNDUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-7-9-5-6(11)3-4-8(9)10(7)12/h6-9,11H,2-5H2,1H3.
What are the key properties of 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one?
8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one has a molecular weight of 168.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one is sourced from PubChem (CID 56638242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).