methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate

C21H38O2 — CID 10519902

IUPACmethyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate
SMILESCCC(C)CCCCCC/C=C\CC/C=C\CCCC(=O)OC
InChIInChI=1S/C21H38O2/c1-4-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(22)23-3/h5-6,11,13,20H,4,7-10,12,14-19H2,1-3H3/b6-5-,13-11-
InChIKeyVXBNMFSUHNIDOK-VNWVSWPHSA-N
MW322.53 g/mol
LogP6.61
Rot. Bonds15

About methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate

methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate (PubChem CID 10519902) has the molecular formula C21H38O2 and a molecular weight of 322.53 g/mol. Its IUPAC name is methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate.

Molecular Properties

Compound Namemethyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate
PubChem CID10519902
Molecular FormulaC21H38O2
Molecular Weight322.53 g/mol
Exact Mass322.29
IUPAC Namemethyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate
SMILESCCC(C)CCCCCC/C=C\CC/C=C\CCCC(=O)OC
InChIInChI=1S/C21H38O2/c1-4-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(22)23-3/h5-6,11,13,20H,4,7-10,12,14-19H2,1-3H3/b6-5-,13-11-
InChIKeyVXBNMFSUHNIDOK-VNWVSWPHSA-N
XLogP6.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.53
LogP ≤ 56.61
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 (5Z,9Z)-17-methylnonadeca-5,9-dienoate 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 (5Z,9Z)-17-methylnonadeca-5,9-dienoate?
The IUPAC name of methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate (CID 10519902) is methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate.
What is the SMILES notation for methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate?
The canonical SMILES for methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate is CCC(C)CCCCCC/C=C\CC/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate?
The InChIKey is VXBNMFSUHNIDOK-VNWVSWPHSA-N. The full InChI is InChI=1S/C21H38O2/c1-4-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(22)23-3/h5-6,11,13,20H,4,7-10,12,14-19H2,1-3H3/b6-5-,13-11-.
What are the key properties of methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate?
methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate has a molecular weight of 322.53 g/mol, XLogP of 6.61, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z,9Z)-17-methylnonadeca-5,9-dienoate is sourced from PubChem (CID 10519902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).