1-(2-ethylcyclohexyl)propan-2-one

C11H20O — CID 79429645

IUPAC1-(2-ethylcyclohexyl)propan-2-one
SMILESCCC1CCCCC1CC(C)=O
InChIInChI=1S/C11H20O/c1-3-10-6-4-5-7-11(10)8-9(2)12/h10-11H,3-8H2,1-2H3
InChIKeyUCRYVPMIVMJLCP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-ethylcyclohexyl)propan-2-one

1-(2-ethylcyclohexyl)propan-2-one (PubChem CID 79429645) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)propan-2-one.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)propan-2-one
PubChem CID79429645
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(2-ethylcyclohexyl)propan-2-one
SMILESCCC1CCCCC1CC(C)=O
InChIInChI=1S/C11H20O/c1-3-10-6-4-5-7-11(10)8-9(2)12/h10-11H,3-8H2,1-2H3
InChIKeyUCRYVPMIVMJLCP-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylcyclohexyl)propan-2-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 1-(2-ethylcyclohexyl)propan-2-one?
The IUPAC name of 1-(2-ethylcyclohexyl)propan-2-one (CID 79429645) is 1-(2-ethylcyclohexyl)propan-2-one.
What is the SMILES notation for 1-(2-ethylcyclohexyl)propan-2-one?
The canonical SMILES for 1-(2-ethylcyclohexyl)propan-2-one is CCC1CCCCC1CC(C)=O.
What is the InChIKey of 1-(2-ethylcyclohexyl)propan-2-one?
The InChIKey is UCRYVPMIVMJLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-10-6-4-5-7-11(10)8-9(2)12/h10-11H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)propan-2-one?
1-(2-ethylcyclohexyl)propan-2-one has a molecular weight of 168.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)propan-2-one is sourced from PubChem (CID 79429645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).