11,15,19-trimethylicos-5-enoic acid

C23H44O2 — CID 75962648

IUPAC11,15,19-trimethylicos-5-enoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCCC=CCCCC(=O)O
InChIInChI=1S/C23H44O2/c1-20(2)14-12-16-22(4)18-13-17-21(3)15-10-8-6-5-7-9-11-19-23(24)25/h5,7,20-22H,6,8-19H2,1-4H3,(H,24,25)
InChIKeyYFFYZNLBGSMHGN-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.63
Rot. Bonds17

About 11,15,19-trimethylicos-5-enoic acid

11,15,19-trimethylicos-5-enoic acid (PubChem CID 75962648) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 11,15,19-trimethylicos-5-enoic acid.

Molecular Properties

Compound Name11,15,19-trimethylicos-5-enoic acid
PubChem CID75962648
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name11,15,19-trimethylicos-5-enoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCCC=CCCCC(=O)O
InChIInChI=1S/C23H44O2/c1-20(2)14-12-16-22(4)18-13-17-21(3)15-10-8-6-5-7-9-11-19-23(24)25/h5,7,20-22H,6,8-19H2,1-4H3,(H,24,25)
InChIKeyYFFYZNLBGSMHGN-UHFFFAOYSA-N
XLogP7.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.63
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

(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822
(5E,9E)-15-methylhexadeca-5,9-dienoic acid
CID 20847618
17-methyloctadeca-5,9-dienoic acid
CID 75955144
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
8,12-dimethyltridecanoic acid
CID 101005175
11,15-dimethylhexadecanoic acid
CID 5282701
(Z)-19-methyltricos-9-enoic acid
CID 170905210
(16S)-16-methyloctadeca-5,9-dienoic acid
CID 162859481
12,17-dimethyloctadecanoic acid
CID 123475021
(5E,9Z)-6-bromo-24-methylpentacosa-5,9-dienoic acid
CID 56935823

Frequently Asked Questions

What is the IUPAC name of 11,15,19-trimethylicos-5-enoic acid?
The IUPAC name of 11,15,19-trimethylicos-5-enoic acid (CID 75962648) is 11,15,19-trimethylicos-5-enoic acid.
What is the SMILES notation for 11,15,19-trimethylicos-5-enoic acid?
The canonical SMILES for 11,15,19-trimethylicos-5-enoic acid is CC(C)CCCC(C)CCCC(C)CCCCC=CCCCC(=O)O.
What is the InChIKey of 11,15,19-trimethylicos-5-enoic acid?
The InChIKey is YFFYZNLBGSMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-20(2)14-12-16-22(4)18-13-17-21(3)15-10-8-6-5-7-9-11-19-23(24)25/h5,7,20-22H,6,8-19H2,1-4H3,(H,24,25).
What are the key properties of 11,15,19-trimethylicos-5-enoic acid?
11,15,19-trimethylicos-5-enoic acid has a molecular weight of 352.60 g/mol, XLogP of 7.63, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15,19-trimethylicos-5-enoic acid is sourced from PubChem (CID 75962648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).