(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid

C16H28O2 — CID 168749471

IUPAC(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
SMILESCC(C)CCCC/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h3,5-6,8,15H,4,7,9-14H2,1-2H3,(H,17,18)/b5-3-,8-6-
InChIKeyYIYSQUAJHRKPTI-NIOMPZRHSA-N
MW252.40 g/mol
LogP4.96
Rot. Bonds11

About (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid

(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid (PubChem CID 168749471) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid.

Molecular Properties

Compound Name(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
PubChem CID168749471
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
SMILESCC(C)CCCC/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h3,5-6,8,15H,4,7,9-14H2,1-2H3,(H,17,18)/b5-3-,8-6-
InChIKeyYIYSQUAJHRKPTI-NIOMPZRHSA-N
XLogP4.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E,9E)-15-methylhexadeca-5,9-dienoic acid
CID 20847618
17-methyloctadeca-5,9-dienoic acid
CID 75955144
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
11,15,19-trimethylicos-5-enoic acid
CID 75962648
(9Z,12Z)-16-methylheptadeca-9,12-dienoic acid
CID 5312304
18-methylnonadeca-8,11,14-trienoic acid
CID 78383919
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822
tetradeca-5,8-dienedioic acid
CID 54091580
(5Z,9Z,12Z,15Z,18Z,21Z,34S)-34-methylhexatriaconta-5,9,12,15,18,21-hexaenoic acid
CID 52921771
(5E,9Z)-6-bromo-24-methylpentacosa-5,9-dienoic acid
CID 56935823
(7Z,10Z,13Z)-16-methylheptadeca-7,10,13-trienoic acid
CID 168749468

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid?
The IUPAC name of (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid (CID 168749471) is (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid.
What is the SMILES notation for (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid?
The canonical SMILES for (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid is CC(C)CCCC/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid?
The InChIKey is YIYSQUAJHRKPTI-NIOMPZRHSA-N. The full InChI is InChI=1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h3,5-6,8,15H,4,7,9-14H2,1-2H3,(H,17,18)/b5-3-,8-6-.
What are the key properties of (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid?
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid has a molecular weight of 252.40 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-14-methylpentadeca-5,8-dienoic acid is sourced from PubChem (CID 168749471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).