17-methyloctadeca-6,9,12,15-tetraenoic acid

C19H30O2 — CID 173274279

IUPAC17-methyloctadeca-6,9,12,15-tetraenoic acid
SMILESCC(C)C=CCC=CCC=CCC=CCCCCC(=O)O
InChIInChI=1S/C19H30O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,7-10,14,16,18H,5-6,11-13,15,17H2,1-2H3,(H,20,21)
InChIKeyQKVXPBAKKSIUBD-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.68
Rot. Bonds12

About 17-methyloctadeca-6,9,12,15-tetraenoic acid

17-methyloctadeca-6,9,12,15-tetraenoic acid (PubChem CID 173274279) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 17-methyloctadeca-6,9,12,15-tetraenoic acid.

Molecular Properties

Compound Name17-methyloctadeca-6,9,12,15-tetraenoic acid
PubChem CID173274279
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name17-methyloctadeca-6,9,12,15-tetraenoic acid
SMILESCC(C)C=CCC=CCC=CCC=CCCCCC(=O)O
InChIInChI=1S/C19H30O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,7-10,14,16,18H,5-6,11-13,15,17H2,1-2H3,(H,20,21)
InChIKeyQKVXPBAKKSIUBD-UHFFFAOYSA-N
XLogP5.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.68
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

11-methyldodec-9-enoic acid
CID 76621229
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
tetradeca-5,8-dienedioic acid
CID 54091580
(9Z,12Z)-16-methylheptadeca-9,12-dienoic acid
CID 5312304
18-methylnonadeca-8,11,14-trienoic acid
CID 78383919
(7Z,10Z,13Z)-16-methylheptadeca-7,10,13-trienoic acid
CID 168749468
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
octacosa-20,23,26-trienoic acid
CID 169277364
tetracosa-6,9,12,15,18-pentaenoic acid
CID 72731988
henicosa-13,16,19-trienoic acid
CID 169277363
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670

Frequently Asked Questions

What is the IUPAC name of 17-methyloctadeca-6,9,12,15-tetraenoic acid?
The IUPAC name of 17-methyloctadeca-6,9,12,15-tetraenoic acid (CID 173274279) is 17-methyloctadeca-6,9,12,15-tetraenoic acid.
What is the SMILES notation for 17-methyloctadeca-6,9,12,15-tetraenoic acid?
The canonical SMILES for 17-methyloctadeca-6,9,12,15-tetraenoic acid is CC(C)C=CCC=CCC=CCC=CCCCCC(=O)O.
What is the InChIKey of 17-methyloctadeca-6,9,12,15-tetraenoic acid?
The InChIKey is QKVXPBAKKSIUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h3-4,7-10,14,16,18H,5-6,11-13,15,17H2,1-2H3,(H,20,21).
What are the key properties of 17-methyloctadeca-6,9,12,15-tetraenoic acid?
17-methyloctadeca-6,9,12,15-tetraenoic acid has a molecular weight of 290.45 g/mol, XLogP of 5.68, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyloctadeca-6,9,12,15-tetraenoic acid is sourced from PubChem (CID 173274279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).