4-hydroxy-10,10-dimethyltridecanoic acid

C15H30O3 — CID 139805466

IUPAC4-hydroxy-10,10-dimethyltridecanoic acid
SMILESCCCC(C)(C)CCCCCC(O)CCC(=O)O
InChIInChI=1S/C15H30O3/c1-4-11-15(2,3)12-7-5-6-8-13(16)9-10-14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyIFGZUEQBCXKNEB-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.99
Rot. Bonds11

About 4-hydroxy-10,10-dimethyltridecanoic acid

4-hydroxy-10,10-dimethyltridecanoic acid (PubChem CID 139805466) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 4-hydroxy-10,10-dimethyltridecanoic acid.

Molecular Properties

Compound Name4-hydroxy-10,10-dimethyltridecanoic acid
PubChem CID139805466
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name4-hydroxy-10,10-dimethyltridecanoic acid
SMILESCCCC(C)(C)CCCCCC(O)CCC(=O)O
InChIInChI=1S/C15H30O3/c1-4-11-15(2,3)12-7-5-6-8-13(16)9-10-14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyIFGZUEQBCXKNEB-UHFFFAOYSA-N
XLogP3.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-10,10-dimethyltridecanoic 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

3-hydroxy-10,10-dimethyltridecanoic acid
CID 139805418
4-hydroxyhexadecanoic acid
CID 5282904
(4S,12S)-4,12-dihydroxypentadecanoic acid
CID 163083389
4-hydroxyoctanoic acid
CID 159216758
16,19-dihydroxydocosanoic acid
CID 169277473
18,21-dihydroxytriacontanoic acid
CID 169277047
calcium;hydride;9-hydroxyoctadecanoic acid
CID 174336472
(9-hydroxy-3,3,15,15-tetramethyloctadecyl) formate
CID 58097483
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
pentanoic acid;tetracosan-11-ol
CID 175196801
(10S)-10-hydroxyoctadecanoic acid
CID 91864452
15-hydroxypentacosanoic acid
CID 5312784

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-10,10-dimethyltridecanoic acid?
The IUPAC name of 4-hydroxy-10,10-dimethyltridecanoic acid (CID 139805466) is 4-hydroxy-10,10-dimethyltridecanoic acid.
What is the SMILES notation for 4-hydroxy-10,10-dimethyltridecanoic acid?
The canonical SMILES for 4-hydroxy-10,10-dimethyltridecanoic acid is CCCC(C)(C)CCCCCC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxy-10,10-dimethyltridecanoic acid?
The InChIKey is IFGZUEQBCXKNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-4-11-15(2,3)12-7-5-6-8-13(16)9-10-14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 4-hydroxy-10,10-dimethyltridecanoic acid?
4-hydroxy-10,10-dimethyltridecanoic acid has a molecular weight of 258.40 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-10,10-dimethyltridecanoic acid is sourced from PubChem (CID 139805466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).