methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C19H32O2 — CID 5319706

IUPACmethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
InChIInChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
InChIKeyDVWSXZIHSUZZKJ-YSTUJMKBSA-N
MW292.46 g/mol
LogP5.75
Rot. Bonds13

About methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (PubChem CID 5319706) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate.

Molecular Properties

Compound Namemethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
PubChem CID5319706
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Namemethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
InChIInChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
InChIKeyDVWSXZIHSUZZKJ-YSTUJMKBSA-N
XLogP5.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.75
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 methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 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 methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate?
The IUPAC name of methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (CID 5319706) is methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate.
What is the SMILES notation for methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate?
The canonical SMILES for methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC.
What is the InChIKey of methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate?
The InChIKey is DVWSXZIHSUZZKJ-YSTUJMKBSA-N. The full InChI is InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-.
What are the key properties of methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate?
methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate has a molecular weight of 292.46 g/mol, XLogP of 5.75, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate is sourced from PubChem (CID 5319706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).