11-hydroxy-8-methylundecanoic acid

C12H24O3 — CID 87789890

IUPAC11-hydroxy-8-methylundecanoic acid
SMILESCC(CCCO)CCCCCCC(=O)O
InChIInChI=1S/C12H24O3/c1-11(8-6-10-13)7-4-2-3-5-9-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyWJIIKRUXYRMACQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.82
Rot. Bonds10

About 11-hydroxy-8-methylundecanoic acid

11-hydroxy-8-methylundecanoic acid (PubChem CID 87789890) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 11-hydroxy-8-methylundecanoic acid.

Molecular Properties

Compound Name11-hydroxy-8-methylundecanoic acid
PubChem CID87789890
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name11-hydroxy-8-methylundecanoic acid
SMILESCC(CCCO)CCCCCCC(=O)O
InChIInChI=1S/C12H24O3/c1-11(8-6-10-13)7-4-2-3-5-9-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChIKeyWJIIKRUXYRMACQ-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

19-methylheptatriacontanedioic acid
CID 141009772
ethane-1,2-diol;12-methyloctadecanoic acid
CID 174615141
4-methylhexadecanedioic acid;dihydrochloride
CID 89463142
12,17-dimethyloctadecanoic acid
CID 123475021
(11S)-11-methylhexadecanoic acid
CID 162980930
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
8,12-dimethyltridecanoic acid
CID 101005175
12-methylicosanoic acid
CID 15736271
9-methylpentadecanoic acid
CID 22251894
(6S)-6-methyltetradecanoic acid
CID 95858653

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-8-methylundecanoic acid?
The IUPAC name of 11-hydroxy-8-methylundecanoic acid (CID 87789890) is 11-hydroxy-8-methylundecanoic acid.
What is the SMILES notation for 11-hydroxy-8-methylundecanoic acid?
The canonical SMILES for 11-hydroxy-8-methylundecanoic acid is CC(CCCO)CCCCCCC(=O)O.
What is the InChIKey of 11-hydroxy-8-methylundecanoic acid?
The InChIKey is WJIIKRUXYRMACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-11(8-6-10-13)7-4-2-3-5-9-12(14)15/h11,13H,2-10H2,1H3,(H,14,15).
What are the key properties of 11-hydroxy-8-methylundecanoic acid?
11-hydroxy-8-methylundecanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-8-methylundecanoic acid is sourced from PubChem (CID 87789890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).