(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid

C12H24O3 — CID 135016059

IUPAC(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid
SMILESCCCCCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)O
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9(2)11(13)10(3)12(14)15/h9-11,13H,4-8H2,1-3H3,(H,14,15)/t9-,10+,11+/m0/s1
InChIKeyGOQVGCFVPQREJP-HBNTYKKESA-N
MW216.32 g/mol
LogP2.67
Rot. Bonds8

About (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid

(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid (PubChem CID 135016059) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid.

Molecular Properties

Compound Name(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid
PubChem CID135016059
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid
SMILESCCCCCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)O
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9(2)11(13)10(3)12(14)15/h9-11,13H,4-8H2,1-3H3,(H,14,15)/t9-,10+,11+/m0/s1
InChIKeyGOQVGCFVPQREJP-HBNTYKKESA-N
XLogP2.67
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 ≤ 52.67
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

2,3,4-trimethyldecanoic acid
CID 150709082
(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
CID 101438178
(2R)-2-hydroxy-3-methylundecanoic acid
CID 175805023
2-methyl-3-tetradecylheptadecanoic acid
CID 176900342
2-nonadecan-2-ylpropanedioic acid
CID 22179077
2,3,14,15-tetramethylhexadecanedioic acid
CID 101494126
2,9,10-trimethyloctadecanoic acid
CID 14298664
2-methyl-3-octadecylbutanedioic acid
CID 21183584
2-icosan-2-ylhexanedioic acid
CID 87918872
2-hydroxytridecanoic acid
CID 5282901
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxydecanoic acid
CID 161255514

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid?
The IUPAC name of (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid (CID 135016059) is (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid.
What is the SMILES notation for (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid?
The canonical SMILES for (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid is CCCCCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid?
The InChIKey is GOQVGCFVPQREJP-HBNTYKKESA-N. The full InChI is InChI=1S/C12H24O3/c1-4-5-6-7-8-9(2)11(13)10(3)12(14)15/h9-11,13H,4-8H2,1-3H3,(H,14,15)/t9-,10+,11+/m0/s1.
What are the key properties of (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid?
(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoic acid is sourced from PubChem (CID 135016059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).