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

C12H26O3Si — CID 14412199

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
SMILESCCC(C)C(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-8-9(2)10(11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)
InChIKeyPHOXTZBAXARNHA-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.51
Rot. Bonds5

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

2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid (PubChem CID 14412199) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
PubChem CID14412199
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
SMILESCCC(C)C(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-8-9(2)10(11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)
InChIKeyPHOXTZBAXARNHA-UHFFFAOYSA-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 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid (CID 14412199) is 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid is CCC(C)C(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid?
The InChIKey is PHOXTZBAXARNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-8-9(2)10(11(13)14)15-16(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-3-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 2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid is sourced from PubChem (CID 14412199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).