(3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one

C14H30O3Si — CID 11807903

IUPAC(3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one
SMILESCC(=O)[C@@H](O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O3Si/c1-9(2)18(10(3)4,11(5)6)17-13(8)14(16)12(7)15/h9-11,13-14,16H,1-8H3/t13-,14+/m0/s1
InChIKeyIXKXGYILUHAPGF-UONOGXRCSA-N
MW274.48 g/mol
LogP3.52
Rot. Bonds7

About (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one

(3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one (PubChem CID 11807903) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one
PubChem CID11807903
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one
SMILESCC(=O)[C@@H](O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O3Si/c1-9(2)18(10(3)4,11(5)6)17-13(8)14(16)12(7)15/h9-11,13-14,16H,1-8H3/t13-,14+/m0/s1
InChIKeyIXKXGYILUHAPGF-UONOGXRCSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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 (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-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 (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one?
The IUPAC name of (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one (CID 11807903) is (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one.
What is the SMILES notation for (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one?
The canonical SMILES for (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-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 (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one?
The InChIKey is IXKXGYILUHAPGF-UONOGXRCSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-9(2)18(10(3)4,11(5)6)17-13(8)14(16)12(7)15/h9-11,13-14,16H,1-8H3/t13-,14+/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one?
(3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one has a molecular weight of 274.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-4-tri(propan-2-yl)silyloxypentan-2-one is sourced from PubChem (CID 11807903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).