(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid

C12H26O3Si — CID 10868598

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-8-10(9(2)11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t9-,10-/m0/s1
InChIKeySXKYNFXECHOOJQ-UWVGGRQHSA-N
MW246.42 g/mol
LogP3.51
Rot. Bonds5

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

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid (PubChem CID 10868598) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
PubChem CID10868598
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-8-10(9(2)11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t9-,10-/m0/s1
InChIKeySXKYNFXECHOOJQ-UWVGGRQHSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 10911032
(R)-3-(tert-Butyldimethylsilyloxy)butanoic acid
CID 11096091
Methyl 2,2,4-trimethyl-3-trimethylsiloxyvalerate
CID 14763594
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid
CID 142800887
3-[Tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 172804838
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
3-Hydroxybutyric acid, mono-TBDMS # 1
CID 91752586
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-
CID 554647
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoic acid
CID 135023452

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid (CID 10868598) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)O.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid?
The InChIKey is SXKYNFXECHOOJQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-8-10(9(2)11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid has a molecular weight of 246.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid is sourced from PubChem (CID 10868598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).