[(4Z,6Z)-hexadeca-4,6-dienyl] acetate

C18H32O2 — CID 91751116

IUPAC[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
SMILESCCCCCCCCC/C=C\C=C/CCCOC(C)=O
InChIInChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h11-14H,3-10,15-17H2,1-2H3/b12-11-,14-13-
InChIKeyHCQKUIBZXJOAOA-OSZYEJKESA-N
MW280.45 g/mol
LogP5.58
Rot. Bonds13

About [(4Z,6Z)-hexadeca-4,6-dienyl] acetate

[(4Z,6Z)-hexadeca-4,6-dienyl] acetate (PubChem CID 91751116) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is [(4Z,6Z)-hexadeca-4,6-dienyl] acetate.

Molecular Properties

Compound Name[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
PubChem CID91751116
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
SMILESCCCCCCCCC/C=C\C=C/CCCOC(C)=O
InChIInChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h11-14H,3-10,15-17H2,1-2H3/b12-11-,14-13-
InChIKeyHCQKUIBZXJOAOA-OSZYEJKESA-N
XLogP5.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4Z,6Z)-hexadeca-4,6-dienyl] 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

heptadeca-9,11-dienyl acetate
CID 168861599
octadec-8-enyl acetate
CID 538134
hexadec-8-enyl acetate
CID 538136
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
[(5Z,7E)-dodeca-5,7-dienyl] acetate;(9E,11Z)-hexadeca-9,11-dienal
CID 158183525
[(9Z,11E)-tetradeca-9,11-dienyl] acetate
CID 6441057
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
tetradeca-4,6,13-trienyl acetate
CID 162896966

Frequently Asked Questions

What is the IUPAC name of [(4Z,6Z)-hexadeca-4,6-dienyl] acetate?
The IUPAC name of [(4Z,6Z)-hexadeca-4,6-dienyl] acetate (CID 91751116) is [(4Z,6Z)-hexadeca-4,6-dienyl] acetate.
What is the SMILES notation for [(4Z,6Z)-hexadeca-4,6-dienyl] acetate?
The canonical SMILES for [(4Z,6Z)-hexadeca-4,6-dienyl] acetate is CCCCCCCCC/C=C\C=C/CCCOC(C)=O.
What is the InChIKey of [(4Z,6Z)-hexadeca-4,6-dienyl] acetate?
The InChIKey is HCQKUIBZXJOAOA-OSZYEJKESA-N. The full InChI is InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h11-14H,3-10,15-17H2,1-2H3/b12-11-,14-13-.
What are the key properties of [(4Z,6Z)-hexadeca-4,6-dienyl] acetate?
[(4Z,6Z)-hexadeca-4,6-dienyl] acetate has a molecular weight of 280.45 g/mol, XLogP of 5.58, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,6Z)-hexadeca-4,6-dienyl] acetate is sourced from PubChem (CID 91751116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).