1-cyclohexylprop-2-enyl acetate

C11H18O2 — CID 13444356

IUPAC1-cyclohexylprop-2-enyl acetate
SMILESC=CC(OC(C)=O)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3,10-11H,1,4-8H2,2H3
InChIKeyBJKMROSLRRZCSZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds3

About 1-cyclohexylprop-2-enyl acetate

1-cyclohexylprop-2-enyl acetate (PubChem CID 13444356) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-cyclohexylprop-2-enyl acetate.

Molecular Properties

Compound Name1-cyclohexylprop-2-enyl acetate
PubChem CID13444356
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-cyclohexylprop-2-enyl acetate
SMILESC=CC(OC(C)=O)C1CCCCC1
InChIInChI=1S/C11H18O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3,10-11H,1,4-8H2,2H3
InChIKeyBJKMROSLRRZCSZ-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyclohexylprop-2-enyl acetate 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-cyclohexylprop-2-enyl acetate?
The IUPAC name of 1-cyclohexylprop-2-enyl acetate (CID 13444356) is 1-cyclohexylprop-2-enyl acetate.
What is the SMILES notation for 1-cyclohexylprop-2-enyl acetate?
The canonical SMILES for 1-cyclohexylprop-2-enyl acetate is C=CC(OC(C)=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylprop-2-enyl acetate?
The InChIKey is BJKMROSLRRZCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3,10-11H,1,4-8H2,2H3.
What are the key properties of 1-cyclohexylprop-2-enyl acetate?
1-cyclohexylprop-2-enyl acetate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylprop-2-enyl acetate is sourced from PubChem (CID 13444356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).