(9Z)-9-hydroxyimino-11-methyldodecanoic acid

C13H25NO3 — CID 87886808

IUPAC(9Z)-9-hydroxyimino-11-methyldodecanoic acid
SMILESCC(C)C/C(CCCCCCCC(=O)O)=N\O
InChIInChI=1S/C13H25NO3/c1-11(2)10-12(14-17)8-6-4-3-5-7-9-13(15)16/h11,17H,3-10H2,1-2H3,(H,15,16)/b14-12-
InChIKeyCQAVQVDUQGPFMT-OWBHPGMISA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds10

About (9Z)-9-hydroxyimino-11-methyldodecanoic acid

(9Z)-9-hydroxyimino-11-methyldodecanoic acid (PubChem CID 87886808) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (9Z)-9-hydroxyimino-11-methyldodecanoic acid.

Molecular Properties

Compound Name(9Z)-9-hydroxyimino-11-methyldodecanoic acid
PubChem CID87886808
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(9Z)-9-hydroxyimino-11-methyldodecanoic acid
SMILESCC(C)C/C(CCCCCCCC(=O)O)=N\O
InChIInChI=1S/C13H25NO3/c1-11(2)10-12(14-17)8-6-4-3-5-7-9-13(15)16/h11,17H,3-10H2,1-2H3,(H,15,16)/b14-12-
InChIKeyCQAVQVDUQGPFMT-OWBHPGMISA-N
XLogP3.68
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (9Z)-9-hydroxyimino-11-methyldodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-hydroxyimino-11-methyldodecanoic acid?
The IUPAC name of (9Z)-9-hydroxyimino-11-methyldodecanoic acid (CID 87886808) is (9Z)-9-hydroxyimino-11-methyldodecanoic acid.
What is the SMILES notation for (9Z)-9-hydroxyimino-11-methyldodecanoic acid?
The canonical SMILES for (9Z)-9-hydroxyimino-11-methyldodecanoic acid is CC(C)C/C(CCCCCCCC(=O)O)=N\O.
What is the InChIKey of (9Z)-9-hydroxyimino-11-methyldodecanoic acid?
The InChIKey is CQAVQVDUQGPFMT-OWBHPGMISA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(2)10-12(14-17)8-6-4-3-5-7-9-13(15)16/h11,17H,3-10H2,1-2H3,(H,15,16)/b14-12-.
What are the key properties of (9Z)-9-hydroxyimino-11-methyldodecanoic acid?
(9Z)-9-hydroxyimino-11-methyldodecanoic acid has a molecular weight of 243.35 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-hydroxyimino-11-methyldodecanoic acid is sourced from PubChem (CID 87886808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).