2-hydroxy-4-methylundecanoic acid

C12H24O3 — CID 87684052

IUPAC2-hydroxy-4-methylundecanoic acid
SMILESCCCCCCCC(C)CC(O)C(=O)O
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-10(2)9-11(13)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyCLPDTLRNJFCLIO-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.82
Rot. Bonds9

About 2-hydroxy-4-methylundecanoic acid

2-hydroxy-4-methylundecanoic acid (PubChem CID 87684052) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-hydroxy-4-methylundecanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methylundecanoic acid
PubChem CID87684052
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-hydroxy-4-methylundecanoic acid
SMILESCCCCCCCC(C)CC(O)C(=O)O
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-10(2)9-11(13)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyCLPDTLRNJFCLIO-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

2,4-dimethyltetradecanoic acid
CID 5282697
2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
2-hydroxytetradecanoic acid;titanium
CID 174290276
2-butyl-4-methylundecanoic acid
CID 170848284
4-methyl-2-propan-2-yltetradecanoic acid
CID 23394746
(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
CID 52921748
2-(4-methylundecan-2-yl)propanedioic acid
CID 118536076
2-hydroxyheptanoic acid
CID 2750949

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylundecanoic acid?
The IUPAC name of 2-hydroxy-4-methylundecanoic acid (CID 87684052) is 2-hydroxy-4-methylundecanoic acid.
What is the SMILES notation for 2-hydroxy-4-methylundecanoic acid?
The canonical SMILES for 2-hydroxy-4-methylundecanoic acid is CCCCCCCC(C)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-methylundecanoic acid?
The InChIKey is CLPDTLRNJFCLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-4-5-6-7-8-10(2)9-11(13)12(14)15/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-4-methylundecanoic acid?
2-hydroxy-4-methylundecanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylundecanoic acid is sourced from PubChem (CID 87684052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).