4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one

C11H18O2 — CID 106590488

IUPAC4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(CCC2CC2)CC1
InChIInChI=1S/C11H18O2/c12-10-4-7-11(13,8-5-10)6-3-9-1-2-9/h9,13H,1-8H2
InChIKeyOYIPABOUEXVKII-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds3

About 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one

4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one (PubChem CID 106590488) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one
PubChem CID106590488
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(CCC2CC2)CC1
InChIInChI=1S/C11H18O2/c12-10-4-7-11(13,8-5-10)6-3-9-1-2-9/h9,13H,1-8H2
InChIKeyOYIPABOUEXVKII-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-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 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one (CID 106590488) is 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one is O=C1CCC(O)(CCC2CC2)CC1.
What is the InChIKey of 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one?
The InChIKey is OYIPABOUEXVKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-10-4-7-11(13,8-5-10)6-3-9-1-2-9/h9,13H,1-8H2.
What are the key properties of 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one?
4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 106590488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).