cyclohexyl hex-5-enoate

C12H20O2 — CID 23466734

IUPACcyclohexyl hex-5-enoate
SMILESC=CCCCC(=O)OC1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h2,11H,1,3-10H2
InChIKeyWKWVDODYWNAXCH-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds5

About cyclohexyl hex-5-enoate

cyclohexyl hex-5-enoate (PubChem CID 23466734) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclohexyl hex-5-enoate.

Molecular Properties

Compound Namecyclohexyl hex-5-enoate
PubChem CID23466734
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecyclohexyl hex-5-enoate
SMILESC=CCCCC(=O)OC1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h2,11H,1,3-10H2
InChIKeyWKWVDODYWNAXCH-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexyl hex-5-enoate 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

Ethyl 6-heptenoate
CID 560341
5-Dodecen-11-olide
CID 5365576
R-cucujolide V
CID 56936048
S-cucujolide V
CID 56936049
Cucujolide X
CID 171119971
Hex-5-enoic acid hex-5-enyl ester
CID 12613775
(z,z)-5,8-Tetradecadien-13-olide
CID 11009557
Adipic acid, butyl pent-4-en-2-yl ester
CID 91713855
Hexyl hex-5-enoate
CID 71334541
Hexanoic acid, 5-hexenyl ester
CID 549099
Hept-6-en-2-yl 4-methylpent-4-enoate
CID 162414238
[(2R)-dec-9-en-2-yl] hex-5-enoate
CID 178412071

Frequently Asked Questions

What is the IUPAC name of cyclohexyl hex-5-enoate?
The IUPAC name of cyclohexyl hex-5-enoate (CID 23466734) is cyclohexyl hex-5-enoate.
What is the SMILES notation for cyclohexyl hex-5-enoate?
The canonical SMILES for cyclohexyl hex-5-enoate is C=CCCCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl hex-5-enoate?
The InChIKey is WKWVDODYWNAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h2,11H,1,3-10H2.
What are the key properties of cyclohexyl hex-5-enoate?
cyclohexyl hex-5-enoate has a molecular weight of 196.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl hex-5-enoate is sourced from PubChem (CID 23466734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).