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

C12H26O3Si — CID 100971723

IUPAC(2S,3R)-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-VHSXEESVSA-N
MW246.42 g/mol
LogP3.51
Rot. Bonds5

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

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid (PubChem CID 100971723) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
PubChem CID100971723
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2S,3R)-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-VHSXEESVSA-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

methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloct-7-ynoic acid
CID 135039835
(3S,4S,8R,9R,10S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyl-9-triethylsilyloxydodecane-5,7-dione
CID 11649235
(3R,4R,8R,9R,10S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyl-9-triethylsilyloxydodecane-5,7-dione
CID 11540838
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
(2R,3S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoic acid
CID 134871223
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid
CID 90042224
[(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptan-3-yl] 2-bromopropanoate
CID 16753972
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoic acid
CID 87454435

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid (CID 100971723) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid?
The canonical SMILES for (2S,3R)-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,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid?
The InChIKey is SXKYNFXECHOOJQ-VHSXEESVSA-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,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid?
(2S,3R)-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,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid is sourced from PubChem (CID 100971723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).