11-methyldodec-9-enoic acid

C13H24O2 — CID 76621229

IUPAC11-methyldodec-9-enoic acid
SMILESCC(C)C=CCCCCCCCC(=O)O
InChIInChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h8,10,12H,3-7,9,11H2,1-2H3,(H,14,15)
InChIKeyZKSJOSDUOVKQHB-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.01
Rot. Bonds9

About 11-methyldodec-9-enoic acid

11-methyldodec-9-enoic acid (PubChem CID 76621229) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 11-methyldodec-9-enoic acid.

Molecular Properties

Compound Name11-methyldodec-9-enoic acid
PubChem CID76621229
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name11-methyldodec-9-enoic acid
SMILESCC(C)C=CCCCCCCCC(=O)O
InChIInChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h8,10,12H,3-7,9,11H2,1-2H3,(H,14,15)
InChIKeyZKSJOSDUOVKQHB-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.01
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

17-methyloctadeca-6,9,12,15-tetraenoic acid
CID 173274279
(E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid
CID 161345473
(Z)-6-methylhept-4-enoic acid
CID 55298227
(E,11R)-11-hydroxytridec-9-enoic acid
CID 162884885
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
tetradec-6-enedioic acid
CID 151545129
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
(Z)-dodec-5-enedioic acid
CID 86751837
(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
CID 12988295

Frequently Asked Questions

What is the IUPAC name of 11-methyldodec-9-enoic acid?
The IUPAC name of 11-methyldodec-9-enoic acid (CID 76621229) is 11-methyldodec-9-enoic acid.
What is the SMILES notation for 11-methyldodec-9-enoic acid?
The canonical SMILES for 11-methyldodec-9-enoic acid is CC(C)C=CCCCCCCCC(=O)O.
What is the InChIKey of 11-methyldodec-9-enoic acid?
The InChIKey is ZKSJOSDUOVKQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h8,10,12H,3-7,9,11H2,1-2H3,(H,14,15).
What are the key properties of 11-methyldodec-9-enoic acid?
11-methyldodec-9-enoic acid has a molecular weight of 212.33 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyldodec-9-enoic acid is sourced from PubChem (CID 76621229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).