[(E)-1-cyclohexylbut-2-enyl] acetate

C12H20O2 — CID 14993075

IUPAC[(E)-1-cyclohexylbut-2-enyl] acetate
SMILESC/C=C/C(OC(C)=O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-3-7-12(14-10(2)13)11-8-5-4-6-9-11/h3,7,11-12H,4-6,8-9H2,1-2H3/b7-3+
InChIKeyIVFLZHPXQFTFIE-XVNBXDOJSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds3

About [(E)-1-cyclohexylbut-2-enyl] acetate

[(E)-1-cyclohexylbut-2-enyl] acetate (PubChem CID 14993075) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(E)-1-cyclohexylbut-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-1-cyclohexylbut-2-enyl] acetate
PubChem CID14993075
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(E)-1-cyclohexylbut-2-enyl] acetate
SMILESC/C=C/C(OC(C)=O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-3-7-12(14-10(2)13)11-8-5-4-6-9-11/h3,7,11-12H,4-6,8-9H2,1-2H3/b7-3+
InChIKeyIVFLZHPXQFTFIE-XVNBXDOJSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-1-cyclohexylbut-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

Related Compounds

Carvyl acetate
CID 7335
Perillyl acetate
CID 61780
Carvyl propionate, (+-)-
CID 7336
p-Mentha-1,8(10)-dien-9-yl acetate
CID 61781
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
Menthadienyl acetate
CID 524461
1-Cyclohexylethyl 2-butenoate
CID 107073
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
10-Methylundec-2-en-4-olide
CID 21778197
10-Methyldodec-2-en-4-olide
CID 21778198

Frequently Asked Questions

What is the IUPAC name of [(E)-1-cyclohexylbut-2-enyl] acetate?
The IUPAC name of [(E)-1-cyclohexylbut-2-enyl] acetate (CID 14993075) is [(E)-1-cyclohexylbut-2-enyl] acetate.
What is the SMILES notation for [(E)-1-cyclohexylbut-2-enyl] acetate?
The canonical SMILES for [(E)-1-cyclohexylbut-2-enyl] acetate is C/C=C/C(OC(C)=O)C1CCCCC1.
What is the InChIKey of [(E)-1-cyclohexylbut-2-enyl] acetate?
The InChIKey is IVFLZHPXQFTFIE-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-7-12(14-10(2)13)11-8-5-4-6-9-11/h3,7,11-12H,4-6,8-9H2,1-2H3/b7-3+.
What are the key properties of [(E)-1-cyclohexylbut-2-enyl] acetate?
[(E)-1-cyclohexylbut-2-enyl] acetate has a molecular weight of 196.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyclohexylbut-2-enyl] acetate is sourced from PubChem (CID 14993075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).