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

C11H24O4Si — CID 87149710

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid
SMILESCC(CC(O)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-8(7-9(12)10(13)14)15-16(5,6)11(2,3)4/h8-9,12H,7H2,1-6H3,(H,13,14)
InChIKeyZZNQJURPYASEON-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.23
Rot. Bonds5

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

4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid (PubChem CID 87149710) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid
PubChem CID87149710
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid
SMILESCC(CC(O)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-8(7-9(12)10(13)14)15-16(5,6)11(2,3)4/h8-9,12H,7H2,1-6H3,(H,13,14)
InChIKeyZZNQJURPYASEON-UHFFFAOYSA-N
XLogP2.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid (CID 87149710) is 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid is CC(CC(O)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid?
The InChIKey is ZZNQJURPYASEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-8(7-9(12)10(13)14)15-16(5,6)11(2,3)4/h8-9,12H,7H2,1-6H3,(H,13,14).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid has a molecular weight of 248.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoic acid is sourced from PubChem (CID 87149710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).