24-methylpentacos-9-enoic acid

C26H50O2 — CID 57190789

IUPAC24-methylpentacos-9-enoic acid
SMILESCC(C)CCCCCCCCCCCCCC=CCCCCCCCC(=O)O
InChIInChI=1S/C26H50O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h8,10,25H,3-7,9,11-24H2,1-2H3,(H,27,28)
InChIKeySAMTVTHYYQDTAN-UHFFFAOYSA-N
MW394.68 g/mol
LogP9.09
Rot. Bonds22

About 24-methylpentacos-9-enoic acid

24-methylpentacos-9-enoic acid (PubChem CID 57190789) has the molecular formula C26H50O2 and a molecular weight of 394.68 g/mol. Its IUPAC name is 24-methylpentacos-9-enoic acid.

Molecular Properties

Compound Name24-methylpentacos-9-enoic acid
PubChem CID57190789
Molecular FormulaC26H50O2
Molecular Weight394.68 g/mol
Exact Mass394.38
IUPAC Name24-methylpentacos-9-enoic acid
SMILESCC(C)CCCCCCCCCCCCCC=CCCCCCCCC(=O)O
InChIInChI=1S/C26H50O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h8,10,25H,3-7,9,11-24H2,1-2H3,(H,27,28)
InChIKeySAMTVTHYYQDTAN-UHFFFAOYSA-N
XLogP9.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 59.09
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)-16-methylheptadec-8-enoic acid
CID 10731639
17-methyloctadeca-5,9-dienoic acid
CID 75955144
(5E,9E)-15-methylhexadeca-5,9-dienoic acid
CID 20847618
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471
16-methylheptadecanoic acid
CID 87200881
(9Z,12Z)-16-methylheptadeca-9,12-dienoic acid
CID 5312304
18-methylnonadeca-8,11,14-trienoic acid
CID 78383919
11,15,19-trimethylicos-5-enoic acid
CID 75962648
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842

Frequently Asked Questions

What is the IUPAC name of 24-methylpentacos-9-enoic acid?
The IUPAC name of 24-methylpentacos-9-enoic acid (CID 57190789) is 24-methylpentacos-9-enoic acid.
What is the SMILES notation for 24-methylpentacos-9-enoic acid?
The canonical SMILES for 24-methylpentacos-9-enoic acid is CC(C)CCCCCCCCCCCCCC=CCCCCCCCC(=O)O.
What is the InChIKey of 24-methylpentacos-9-enoic acid?
The InChIKey is SAMTVTHYYQDTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h8,10,25H,3-7,9,11-24H2,1-2H3,(H,27,28).
What are the key properties of 24-methylpentacos-9-enoic acid?
24-methylpentacos-9-enoic acid has a molecular weight of 394.68 g/mol, XLogP of 9.09, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methylpentacos-9-enoic acid is sourced from PubChem (CID 57190789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).