(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid

C18H38O3Si — CID 135016301

IUPAC(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid
SMILESCCCCCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C18H38O3Si/c1-9-10-11-12-13-14(2)16(15(3)17(19)20)21-22(7,8)18(4,5)6/h14-16H,9-13H2,1-8H3,(H,19,20)/t14-,15+,16+/m0/s1
InChIKeyYSSPMILJMPISAG-ARFHVFGLSA-N
MW330.59 g/mol
LogP5.70
Rot. Bonds10

About (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid

(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid (PubChem CID 135016301) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid.

Molecular Properties

Compound Name(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid
PubChem CID135016301
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid
SMILESCCCCCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C18H38O3Si/c1-9-10-11-12-13-14(2)16(15(3)17(19)20)21-22(7,8)18(4,5)6/h14-16H,9-13H2,1-8H3,(H,19,20)/t14-,15+,16+/m0/s1
InChIKeyYSSPMILJMPISAG-ARFHVFGLSA-N
XLogP5.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic 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

Methyl 3-hydroxy-2-tetradecyloctadecanoate
CID 537337
Orlistat metabolite M31
CID 169502243
2-n-Tetradecyl-3-hydroxy-stearic acid
CID 12304080
3-Hydroxy-16-methyl-heptadecanoic acid
CID 342516
(2R,3S)-3-hydroxy-2-tetradecyloctadecanoic acid
CID 162878943
3-Hydroxy-6-methylheptadecanoic acid
CID 163192310
3-Hydroxy-15-methylhexadecanoate
CID 161495
2-Hexadecyl-3-hydroxyicosanoic acid
CID 3018474
2-Decyl-3-hydroxytetradecanoic acid
CID 3023395
2-Hexyl-3-hydroxycapric acid
CID 14620627
3-Hydroxy-20-methyldocosanoic acid
CID 53703056
3-Hydroxy-2,6,10,14-tetramethylpentadecanoic acid
CID 71346921

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid?
The IUPAC name of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid (CID 135016301) is (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid.
What is the SMILES notation for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid?
The canonical SMILES for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid is CCCCCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid?
The InChIKey is YSSPMILJMPISAG-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-9-10-11-12-13-14(2)16(15(3)17(19)20)21-22(7,8)18(4,5)6/h14-16H,9-13H2,1-8H3,(H,19,20)/t14-,15+,16+/m0/s1.
What are the key properties of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid?
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid has a molecular weight of 330.59 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid is sourced from PubChem (CID 135016301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).