2,3-dihydroxy-12-methyltridecanoic acid

C14H28O4 — CID 86009261

IUPAC2,3-dihydroxy-12-methyltridecanoic acid
SMILESCC(C)CCCCCCCCC(O)C(O)C(=O)O
InChIInChI=1S/C14H28O4/c1-11(2)9-7-5-3-4-6-8-10-12(15)13(16)14(17)18/h11-13,15-16H,3-10H2,1-2H3,(H,17,18)
InChIKeyNDKXQNOGJSDZLW-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.57
Rot. Bonds11

About 2,3-dihydroxy-12-methyltridecanoic acid

2,3-dihydroxy-12-methyltridecanoic acid (PubChem CID 86009261) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2,3-dihydroxy-12-methyltridecanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-12-methyltridecanoic acid
PubChem CID86009261
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2,3-dihydroxy-12-methyltridecanoic acid
SMILESCC(C)CCCCCCCCC(O)C(O)C(=O)O
InChIInChI=1S/C14H28O4/c1-11(2)9-7-5-3-4-6-8-10-12(15)13(16)14(17)18/h11-13,15-16H,3-10H2,1-2H3,(H,17,18)
InChIKeyNDKXQNOGJSDZLW-UHFFFAOYSA-N
XLogP2.57
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dihydroxy-12-methyltridecanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxy-17-methyloctadecanoic acid
CID 23427391
9-acetyloxy-2,3-dihydroxynonanoic acid
CID 142634050
2,3-dihydroxy-4-(16-methylheptadecoxy)-4-oxobutanoic acid
CID 86107122
2,11-dimethyldodecanoic acid
CID 22251841
2,7-bis(11-methyldodecyl)octanedioic acid
CID 175152191
2,9-dimethyldecanoic acid
CID 22251838
2-amino-21-methyldocosanoic acid
CID 10926747
2,3,10-trimethylundecan-4-ol
CID 156689827
16-methylheptadecane-7,8-diol
CID 118508542
16-methylheptadecanoic acid
CID 87200881
3,9-dihydroxy-2-methyldecanoic acid
CID 18709867
2,22-dimethyltricosane
CID 58100191

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-12-methyltridecanoic acid?
The IUPAC name of 2,3-dihydroxy-12-methyltridecanoic acid (CID 86009261) is 2,3-dihydroxy-12-methyltridecanoic acid.
What is the SMILES notation for 2,3-dihydroxy-12-methyltridecanoic acid?
The canonical SMILES for 2,3-dihydroxy-12-methyltridecanoic acid is CC(C)CCCCCCCCC(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-12-methyltridecanoic acid?
The InChIKey is NDKXQNOGJSDZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-11(2)9-7-5-3-4-6-8-10-12(15)13(16)14(17)18/h11-13,15-16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2,3-dihydroxy-12-methyltridecanoic acid?
2,3-dihydroxy-12-methyltridecanoic acid has a molecular weight of 260.37 g/mol, XLogP of 2.57, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-12-methyltridecanoic acid is sourced from PubChem (CID 86009261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).