(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one

C11H24O3Si — CID 24741479

IUPAC(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one
SMILESCC(=O)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8(12)10(13)9(2)14-15(6,7)11(3,4)5/h9-10,13H,1-7H3/t9-,10+/m1/s1
InChIKeyQAJHXYYGIAMKRY-ZJUUUORDSA-N
MW232.40 g/mol
LogP2.35
Rot. Bonds4

About (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one

(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one (PubChem CID 24741479) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one
PubChem CID24741479
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one
SMILESCC(=O)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8(12)10(13)9(2)14-15(6,7)11(3,4)5/h9-10,13H,1-7H3/t9-,10+/m1/s1
InChIKeyQAJHXYYGIAMKRY-ZJUUUORDSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.35
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,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one?
The IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one (CID 24741479) is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one.
What is the SMILES notation for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one?
The canonical SMILES for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one is CC(=O)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one?
The InChIKey is QAJHXYYGIAMKRY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-8(12)10(13)9(2)14-15(6,7)11(3,4)5/h9-10,13H,1-7H3/t9-,10+/m1/s1.
What are the key properties of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one?
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one has a molecular weight of 232.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one is sourced from PubChem (CID 24741479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).