6-methyltetracos-4-enoic acid

C25H48O2 — CID 173102051

IUPAC6-methyltetracos-4-enoic acid
SMILESCCCCCCCCCCCCCCCCCCC(C)C=CCCC(=O)O
InChIInChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)22-19-20-23-25(26)27/h19,22,24H,3-18,20-21,23H2,1-2H3,(H,26,27)
InChIKeyRTHUYSLCDVXNTN-UHFFFAOYSA-N
MW380.66 g/mol
LogP8.70
Rot. Bonds21

About 6-methyltetracos-4-enoic acid

6-methyltetracos-4-enoic acid (PubChem CID 173102051) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 6-methyltetracos-4-enoic acid.

Molecular Properties

Compound Name6-methyltetracos-4-enoic acid
PubChem CID173102051
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Name6-methyltetracos-4-enoic acid
SMILESCCCCCCCCCCCCCCCCCCC(C)C=CCCC(=O)O
InChIInChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)22-19-20-23-25(26)27/h19,22,24H,3-18,20-21,23H2,1-2H3,(H,26,27)
InChIKeyRTHUYSLCDVXNTN-UHFFFAOYSA-N
XLogP8.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 58.70
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

9-methylnonadec-10-enoic acid
CID 57288184
(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
7-methylhexadec-5-ene
CID 150059561
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390
5,11-dimethylpentadeca-3,12-diene-1,6,15-tricarboxylic acid
CID 175055510
(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid
CID 171377638
3-methylbutan-2-yl (E)-15-methylhenicos-13-enoate
CID 129129467
(E)-15-chlorodocos-13-enoic acid
CID 141253308
(E)-8-chlorooctadec-9-enoic acid
CID 87265265
docos-4-enoic acid
CID 56621449

Frequently Asked Questions

What is the IUPAC name of 6-methyltetracos-4-enoic acid?
The IUPAC name of 6-methyltetracos-4-enoic acid (CID 173102051) is 6-methyltetracos-4-enoic acid.
What is the SMILES notation for 6-methyltetracos-4-enoic acid?
The canonical SMILES for 6-methyltetracos-4-enoic acid is CCCCCCCCCCCCCCCCCCC(C)C=CCCC(=O)O.
What is the InChIKey of 6-methyltetracos-4-enoic acid?
The InChIKey is RTHUYSLCDVXNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)22-19-20-23-25(26)27/h19,22,24H,3-18,20-21,23H2,1-2H3,(H,26,27).
What are the key properties of 6-methyltetracos-4-enoic acid?
6-methyltetracos-4-enoic acid has a molecular weight of 380.66 g/mol, XLogP of 8.70, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyltetracos-4-enoic acid is sourced from PubChem (CID 173102051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).