(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid

C12H26O3Si — CID 16756238

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
SMILESCC(C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-9(2)8-10(11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t10-/m0/s1
InChIKeyQQUSMUQJSDJVFR-JTQLQIEISA-N
MW246.42 g/mol
LogP3.51
Rot. Bonds5

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid (PubChem CID 16756238) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
PubChem CID16756238
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
SMILESCC(C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-9(2)8-10(11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t10-/m0/s1
InChIKeyQQUSMUQJSDJVFR-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid (CID 16756238) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid is CC(C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid?
The InChIKey is QQUSMUQJSDJVFR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(2)8-10(11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-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)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid is sourced from PubChem (CID 16756238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).