(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one

C11H24O3Si — CID 124629464

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
SMILESCC(=O)[C@@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(13)10(7-8-12)14-15(5,6)11(2,3)4/h10,12H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyUUSDHTAHRYBCMB-SNVBAGLBSA-N
MW232.40 g/mol
LogP2.35
Rot. Bonds5

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one (PubChem CID 124629464) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
PubChem CID124629464
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
SMILESCC(=O)[C@@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(13)10(7-8-12)14-15(5,6)11(2,3)4/h10,12H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyUUSDHTAHRYBCMB-SNVBAGLBSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(-)-(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 10633359
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one
CID 134972438
(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 3481460
5-[Tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-2-one
CID 53927944
(3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 140046459
4-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanal
CID 141472188
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
CID 144859906
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 157817217
2-[Tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
CID 173584299
1-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 17911697
(2S,4S)-2-hydroxy-5,5-dimethyl-4-trimethylsilyloxyhexan-3-one
CID 101410808
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one
CID 125477110

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one (CID 124629464) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one is CC(=O)[C@@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one?
The InChIKey is UUSDHTAHRYBCMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-9(13)10(7-8-12)14-15(5,6)11(2,3)4/h10,12H,7-8H2,1-6H3/t10-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one has a molecular weight of 232.40 g/mol, XLogP of 2.35, 5 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-hydroxypentan-2-one is sourced from PubChem (CID 124629464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).