(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one

C11H24O3Si — CID 125477110

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CCO
InChIInChI=1S/C11H24O3Si/c1-9(10(13)7-8-12)14-15(5,6)11(2,3)4/h9,12H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyUWHFFEWLAWRCGK-VIFPVBQESA-N
MW232.40 g/mol
LogP2.35
Rot. Bonds5

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one (PubChem CID 125477110) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one
PubChem CID125477110
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CCO
InChIInChI=1S/C11H24O3Si/c1-9(10(13)7-8-12)14-15(5,6)11(2,3)4/h9,12H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyUWHFFEWLAWRCGK-VIFPVBQESA-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'}

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Related Compounds

(-)-(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 10633359
(3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one
CID 11807903
(3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-5-hydroxypentan-2-one
CID 3481460
(2S,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one
CID 54461246
(2R,4R)-1,2,4,5-tetrahydroxy-1-trimethylsilylpentan-3-one
CID 54461247
1-Hydroxy-1-[methoxy(dimethyl)silyl]pentan-3-one
CID 140718409
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
CID 15448982
(3R,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
CID 15448983
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypentan-2-one
CID 24741479
(3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one
CID 57413137
(3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
CID 100967268

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one (CID 125477110) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one is C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CCO.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one?
The InChIKey is UWHFFEWLAWRCGK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24O3Si/c1-9(10(13)7-8-12)14-15(5,6)11(2,3)4/h9,12H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-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 (4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypentan-3-one is sourced from PubChem (CID 125477110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).