9-hydroxyimino-11-methyldodecanoic acid

C13H25NO3 — CID 85078043

IUPAC9-hydroxyimino-11-methyldodecanoic acid
SMILESCC(C)CC(CCCCCCCC(=O)O)=NO
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)
InChIKeyCQAVQVDUQGPFMT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds10

About 9-hydroxyimino-11-methyldodecanoic acid

9-hydroxyimino-11-methyldodecanoic acid (PubChem CID 85078043) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 9-hydroxyimino-11-methyldodecanoic acid.

Molecular Properties

Compound Name9-hydroxyimino-11-methyldodecanoic acid
PubChem CID85078043
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name9-hydroxyimino-11-methyldodecanoic acid
SMILESCC(C)CC(CCCCCCCC(=O)O)=NO
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)
InChIKeyCQAVQVDUQGPFMT-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxyimino-11-methyldodecanoic acid?
The IUPAC name of 9-hydroxyimino-11-methyldodecanoic acid (CID 85078043) is 9-hydroxyimino-11-methyldodecanoic acid.
What is the SMILES notation for 9-hydroxyimino-11-methyldodecanoic acid?
The canonical SMILES for 9-hydroxyimino-11-methyldodecanoic acid is CC(C)CC(CCCCCCCC(=O)O)=NO.
What is the InChIKey of 9-hydroxyimino-11-methyldodecanoic acid?
The InChIKey is CQAVQVDUQGPFMT-UHFFFAOYSA-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).
What are the key properties of 9-hydroxyimino-11-methyldodecanoic acid?
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 9-hydroxyimino-11-methyldodecanoic acid is sourced from PubChem (CID 85078043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).