17-methyloctadeca-5,9-dienoic acid

C19H34O2 — CID 75955144

IUPAC17-methyloctadeca-5,9-dienoic acid
SMILESCC(C)CCCCCCC=CCCC=CCCCC(=O)O
InChIInChI=1S/C19H34O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,9,11,18H,5-8,10,12-17H2,1-2H3,(H,20,21)
InChIKeyLHACCDYASDXWID-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.13
Rot. Bonds14

About 17-methyloctadeca-5,9-dienoic acid

17-methyloctadeca-5,9-dienoic acid (PubChem CID 75955144) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 17-methyloctadeca-5,9-dienoic acid.

Molecular Properties

Compound Name17-methyloctadeca-5,9-dienoic acid
PubChem CID75955144
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name17-methyloctadeca-5,9-dienoic acid
SMILESCC(C)CCCCCCC=CCCC=CCCCC(=O)O
InChIInChI=1S/C19H34O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,9,11,18H,5-8,10,12-17H2,1-2H3,(H,20,21)
InChIKeyLHACCDYASDXWID-UHFFFAOYSA-N
XLogP6.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.13
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
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471
11,15,19-trimethylicos-5-enoic acid
CID 75962648
(5E,9Z)-6-bromo-24-methylpentacosa-5,9-dienoic acid
CID 56935823
(16S)-16-methyloctadeca-5,9-dienoic acid
CID 162859481
(9Z,12Z)-16-methylheptadeca-9,12-dienoic acid
CID 5312304
18-methylnonadeca-8,11,14-trienoic acid
CID 78383919
16-methylheptadecanoic acid
CID 87200881
2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid
CID 135241938

Frequently Asked Questions

What is the IUPAC name of 17-methyloctadeca-5,9-dienoic acid?
The IUPAC name of 17-methyloctadeca-5,9-dienoic acid (CID 75955144) is 17-methyloctadeca-5,9-dienoic acid.
What is the SMILES notation for 17-methyloctadeca-5,9-dienoic acid?
The canonical SMILES for 17-methyloctadeca-5,9-dienoic acid is CC(C)CCCCCCC=CCCC=CCCCC(=O)O.
What is the InChIKey of 17-methyloctadeca-5,9-dienoic acid?
The InChIKey is LHACCDYASDXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,9,11,18H,5-8,10,12-17H2,1-2H3,(H,20,21).
What are the key properties of 17-methyloctadeca-5,9-dienoic acid?
17-methyloctadeca-5,9-dienoic acid has a molecular weight of 294.48 g/mol, XLogP of 6.13, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyloctadeca-5,9-dienoic acid is sourced from PubChem (CID 75955144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).