2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one

C11H18O2 — CID 13218023

IUPAC2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one
SMILESCCO/C=C/CC1CCCCC1=O
InChIInChI=1S/C11H18O2/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h5,9-10H,2-4,6-8H2,1H3/b9-5+
InChIKeyNDGGLZJOCOXUGR-WEVVVXLNSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds4

About 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one

2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one (PubChem CID 13218023) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one
PubChem CID13218023
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one
SMILESCCO/C=C/CC1CCCCC1=O
InChIInChI=1S/C11H18O2/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h5,9-10H,2-4,6-8H2,1H3/b9-5+
InChIKeyNDGGLZJOCOXUGR-WEVVVXLNSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[(E)-3-ethoxyprop-2-enyl]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

Related Compounds

2-but-2-enylcyclohexan-1-one
CID 54275877
2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
CID 166722235
2-[(E)-but-2-enyl]cyclopentan-1-one
CID 14959733
(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one
CID 129321670
2-(4-hydroxypent-2-enyl)cyclohexan-1-one
CID 175419455
2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one
CID 11095228
(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590
2-ethylcyclohexan-1-one;formic acid
CID 137364111
ethyl formate;2-methylcyclohexan-1-one
CID 174850606
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
2-(2-hydroxypropyl)cyclohexan-1-one
CID 15557851
(2R)-2-pentylcyclohexan-1-one
CID 86310435

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one?
The IUPAC name of 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one (CID 13218023) is 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one?
The canonical SMILES for 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one is CCO/C=C/CC1CCCCC1=O.
What is the InChIKey of 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one?
The InChIKey is NDGGLZJOCOXUGR-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h5,9-10H,2-4,6-8H2,1H3/b9-5+.
What are the key properties of 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one?
2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one is sourced from PubChem (CID 13218023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).