(3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one

C14H30O3Si — CID 57413137

IUPAC(3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one
SMILESCC(=O)[C@H](O)[C@H](C)O[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-10(15)12(16)11(2)17-18(9,13(3,4)5)14(6,7)8/h11-12,16H,1-9H3/t11-,12-/m0/s1
InChIKeyICVNBCUCZHQWFS-RYUDHWBXSA-N
MW274.48 g/mol
LogP3.52
Rot. Bonds4

About (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one

(3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one (PubChem CID 57413137) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one
PubChem CID57413137
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one
SMILESCC(=O)[C@H](O)[C@H](C)O[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-10(15)12(16)11(2)17-18(9,13(3,4)5)14(6,7)8/h11-12,16H,1-9H3/t11-,12-/m0/s1
InChIKeyICVNBCUCZHQWFS-RYUDHWBXSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one?
The IUPAC name of (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one (CID 57413137) is (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one.
What is the SMILES notation for (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one?
The canonical SMILES for (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one is CC(=O)[C@H](O)[C@H](C)O[Si](C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one?
The InChIKey is ICVNBCUCZHQWFS-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-10(15)12(16)11(2)17-18(9,13(3,4)5)14(6,7)8/h11-12,16H,1-9H3/t11-,12-/m0/s1.
What are the key properties of (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one?
(3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one has a molecular weight of 274.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[ditert-butyl(methyl)silyl]oxy-3-hydroxypentan-2-one is sourced from PubChem (CID 57413137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).