2-hydroxy-7-methyldecanoic acid

C11H22O3 — CID 141014301

IUPAC2-hydroxy-7-methyldecanoic acid
SMILESCCCC(C)CCCCC(O)C(=O)O
InChIInChI=1S/C11H22O3/c1-3-6-9(2)7-4-5-8-10(12)11(13)14/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyXRKOUKGOUJUQQR-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.43
Rot. Bonds8

About 2-hydroxy-7-methyldecanoic acid

2-hydroxy-7-methyldecanoic acid (PubChem CID 141014301) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-hydroxy-7-methyldecanoic acid.

Molecular Properties

Compound Name2-hydroxy-7-methyldecanoic acid
PubChem CID141014301
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-hydroxy-7-methyldecanoic acid
SMILESCCCC(C)CCCCC(O)C(=O)O
InChIInChI=1S/C11H22O3/c1-3-6-9(2)7-4-5-8-10(12)11(13)14/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyXRKOUKGOUJUQQR-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-7-methyldecanoic 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-hydroxyheptanoic acid
CID 2750949
2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
(2R)-2-hydroxyhexanoic acid
CID 6995511
2,15-dimethyloctadecanoic acid
CID 22251958
2,10-dimethyltridecanoic acid
CID 22251986
2-hydroxytetradecanoic acid;titanium
CID 174290276
ethane;2-hydroxyhexanoic acid
CID 20976061
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
sodium;hydride;2-hydroxynonanoic acid
CID 175073840

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-methyldecanoic acid?
The IUPAC name of 2-hydroxy-7-methyldecanoic acid (CID 141014301) is 2-hydroxy-7-methyldecanoic acid.
What is the SMILES notation for 2-hydroxy-7-methyldecanoic acid?
The canonical SMILES for 2-hydroxy-7-methyldecanoic acid is CCCC(C)CCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-7-methyldecanoic acid?
The InChIKey is XRKOUKGOUJUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-6-9(2)7-4-5-8-10(12)11(13)14/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-7-methyldecanoic acid?
2-hydroxy-7-methyldecanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-methyldecanoic acid is sourced from PubChem (CID 141014301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).