(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid

C12H24O4Si — CID 132537412

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid
SMILESCC(=O)C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-9(13)7-10(8-11(14)15)16-17(5,6)12(2,3)4/h10H,7-8H2,1-6H3,(H,14,15)/t10-/m1/s1
InChIKeyZQCTZJSFPVLLFR-SNVBAGLBSA-N
MW260.41 g/mol
LogP2.83
Rot. Bonds6

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid (PubChem CID 132537412) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid
PubChem CID132537412
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid
SMILESCC(=O)C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-9(13)7-10(8-11(14)15)16-17(5,6)12(2,3)4/h10H,7-8H2,1-6H3,(H,14,15)/t10-/m1/s1
InChIKeyZQCTZJSFPVLLFR-SNVBAGLBSA-N
XLogP2.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid (CID 132537412) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid is CC(=O)C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid?
The InChIKey is ZQCTZJSFPVLLFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-9(13)7-10(8-11(14)15)16-17(5,6)12(2,3)4/h10H,7-8H2,1-6H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid has a molecular weight of 260.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoic acid is sourced from PubChem (CID 132537412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).