[(E)-hexadec-5-enyl] propanoate

C19H36O2 — CID 23434883

IUPAC[(E)-hexadec-5-enyl] propanoate
SMILESCCCCCCCCCC/C=C/CCCCOC(=O)CC
InChIInChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h13-14H,3-12,15-18H2,1-2H3/b14-13+
InChIKeyYNVYGPDOAWDAGT-BUHFOSPRSA-N
MW296.50 g/mol
LogP6.20
Rot. Bonds15

About [(E)-hexadec-5-enyl] propanoate

[(E)-hexadec-5-enyl] propanoate (PubChem CID 23434883) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is [(E)-hexadec-5-enyl] propanoate.

Molecular Properties

Compound Name[(E)-hexadec-5-enyl] propanoate
PubChem CID23434883
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name[(E)-hexadec-5-enyl] propanoate
SMILESCCCCCCCCCC/C=C/CCCCOC(=O)CC
InChIInChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h13-14H,3-12,15-18H2,1-2H3/b14-13+
InChIKeyYNVYGPDOAWDAGT-BUHFOSPRSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.20
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 [(E)-hexadec-5-enyl] propanoate 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

[(Z)-dodec-7-enyl] propanoate
CID 56935984
[(Z)-octadec-9-enyl] propanoate;sulfuric acid
CID 159542544
[(Z)-dec-3-enyl] propanoate
CID 129170896
[(E)-dec-3-enyl] propanoate
CID 45142124
bis[(E)-tridec-5-enyl] butanedioate
CID 101280853
bis[(E)-tridec-6-enyl] butanedioate
CID 101280854
4-[(Z)-octadec-9-enoyl]oxybutyl (Z)-octadec-9-enoate
CID 87250658
nonadecyl docos-13-enoate
CID 166097895
tridecyl (E)-octadec-10-enoate
CID 21291241
hentriacontyl (Z)-octadec-9-enoate
CID 166097766
[(Z)-octadec-9-enyl] hexatriacontanoate
CID 168953377
nonadec-10-enyl 2-aminoacetate
CID 90782859

Frequently Asked Questions

What is the IUPAC name of [(E)-hexadec-5-enyl] propanoate?
The IUPAC name of [(E)-hexadec-5-enyl] propanoate (CID 23434883) is [(E)-hexadec-5-enyl] propanoate.
What is the SMILES notation for [(E)-hexadec-5-enyl] propanoate?
The canonical SMILES for [(E)-hexadec-5-enyl] propanoate is CCCCCCCCCC/C=C/CCCCOC(=O)CC.
What is the InChIKey of [(E)-hexadec-5-enyl] propanoate?
The InChIKey is YNVYGPDOAWDAGT-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h13-14H,3-12,15-18H2,1-2H3/b14-13+.
What are the key properties of [(E)-hexadec-5-enyl] propanoate?
[(E)-hexadec-5-enyl] propanoate has a molecular weight of 296.50 g/mol, XLogP of 6.20, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hexadec-5-enyl] propanoate is sourced from PubChem (CID 23434883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).