(3S)-3-hydroxy-2,2-dimethyldecanoic acid

C12H24O3 — CID 11413287

IUPAC(3S)-3-hydroxy-2,2-dimethyldecanoic acid
SMILESCCCCCCC[C@H](O)C(C)(C)C(=O)O
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9-10(13)12(2,3)11(14)15/h10,13H,4-9H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyHMAWNZOEPYGUJU-JTQLQIEISA-N
MW216.32 g/mol
LogP2.82
Rot. Bonds8

About (3S)-3-hydroxy-2,2-dimethyldecanoic acid

(3S)-3-hydroxy-2,2-dimethyldecanoic acid (PubChem CID 11413287) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (3S)-3-hydroxy-2,2-dimethyldecanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-2,2-dimethyldecanoic acid
PubChem CID11413287
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(3S)-3-hydroxy-2,2-dimethyldecanoic acid
SMILESCCCCCCC[C@H](O)C(C)(C)C(=O)O
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9-10(13)12(2,3)11(14)15/h10,13H,4-9H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyHMAWNZOEPYGUJU-JTQLQIEISA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

(3R)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380206
(3S)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380205
azane;3-decyl-2,2-dimethyltridecanoic acid
CID 175058079
3,6-dihydroxy-2,2-dimethylhexanoic acid
CID 88624725
(2R,3S)-2-amino-3-hydroxy-2-methyloctanoic acid
CID 44817672
methyl (3S)-3-hydroxy-2,2-dimethyloctanoate
CID 101168876
ethane-1,2-diol;2,2,3-trihydroxyoctadecanoic acid
CID 170434549
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
(3S)-3,5-dihydroxy-2,2-dimethylpentanoic acid
CID 141061914
3-hydroxy-2,2-dimethylheptanamide
CID 91302287
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2,2-dimethyldecanoic acid?
The IUPAC name of (3S)-3-hydroxy-2,2-dimethyldecanoic acid (CID 11413287) is (3S)-3-hydroxy-2,2-dimethyldecanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-2,2-dimethyldecanoic acid?
The canonical SMILES for (3S)-3-hydroxy-2,2-dimethyldecanoic acid is CCCCCCC[C@H](O)C(C)(C)C(=O)O.
What is the InChIKey of (3S)-3-hydroxy-2,2-dimethyldecanoic acid?
The InChIKey is HMAWNZOEPYGUJU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O3/c1-4-5-6-7-8-9-10(13)12(2,3)11(14)15/h10,13H,4-9H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-2,2-dimethyldecanoic acid?
(3S)-3-hydroxy-2,2-dimethyldecanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2,2-dimethyldecanoic acid is sourced from PubChem (CID 11413287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).