2-(4-oxopentan-2-yl)cyclohexan-1-one

C11H18O2 — CID 12567671

IUPAC2-(4-oxopentan-2-yl)cyclohexan-1-one
SMILESCC(=O)CC(C)C1CCCCC1=O
InChIInChI=1S/C11H18O2/c1-8(7-9(2)12)10-5-3-4-6-11(10)13/h8,10H,3-7H2,1-2H3
InChIKeyQXEQYZLLHMLPPY-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.36
Rot. Bonds3

About 2-(4-oxopentan-2-yl)cyclohexan-1-one

2-(4-oxopentan-2-yl)cyclohexan-1-one (PubChem CID 12567671) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(4-oxopentan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-oxopentan-2-yl)cyclohexan-1-one
PubChem CID12567671
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(4-oxopentan-2-yl)cyclohexan-1-one
SMILESCC(=O)CC(C)C1CCCCC1=O
InChIInChI=1S/C11H18O2/c1-8(7-9(2)12)10-5-3-4-6-11(10)13/h8,10H,3-7H2,1-2H3
InChIKeyQXEQYZLLHMLPPY-UHFFFAOYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-oxopentan-2-yl)cyclohexan-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 2-(4-oxopentan-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(4-oxopentan-2-yl)cyclohexan-1-one (CID 12567671) is 2-(4-oxopentan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(4-oxopentan-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(4-oxopentan-2-yl)cyclohexan-1-one is CC(=O)CC(C)C1CCCCC1=O.
What is the InChIKey of 2-(4-oxopentan-2-yl)cyclohexan-1-one?
The InChIKey is QXEQYZLLHMLPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(7-9(2)12)10-5-3-4-6-11(10)13/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-(4-oxopentan-2-yl)cyclohexan-1-one?
2-(4-oxopentan-2-yl)cyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopentan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 12567671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).