(Z)-11-methyldodec-2-enoic acid

C13H24O2 — CID 11469920

IUPAC(Z)-11-methyldodec-2-enoic acid
SMILESCC(C)CCCCCCC/C=C\C(=O)O
InChIInChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-
InChIKeySNTXNGAQYNSTHI-LUAWRHEFSA-N
MW212.33 g/mol
LogP4.01
Rot. Bonds9

About (Z)-11-methyldodec-2-enoic acid

(Z)-11-methyldodec-2-enoic acid (PubChem CID 11469920) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (Z)-11-methyldodec-2-enoic acid.

Molecular Properties

Compound Name(Z)-11-methyldodec-2-enoic acid
PubChem CID11469920
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(Z)-11-methyldodec-2-enoic acid
SMILESCC(C)CCCCCCC/C=C\C(=O)O
InChIInChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-
InChIKeySNTXNGAQYNSTHI-LUAWRHEFSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-11-methyldodec-2-enoic acid?
The IUPAC name of (Z)-11-methyldodec-2-enoic acid (CID 11469920) is (Z)-11-methyldodec-2-enoic acid.
What is the SMILES notation for (Z)-11-methyldodec-2-enoic acid?
The canonical SMILES for (Z)-11-methyldodec-2-enoic acid is CC(C)CCCCCCC/C=C\C(=O)O.
What is the InChIKey of (Z)-11-methyldodec-2-enoic acid?
The InChIKey is SNTXNGAQYNSTHI-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-.
What are the key properties of (Z)-11-methyldodec-2-enoic acid?
(Z)-11-methyldodec-2-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 (Z)-11-methyldodec-2-enoic acid is sourced from PubChem (CID 11469920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).