(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one

C20H32O5Si — CID 134837825

IUPAC(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)OCC(=O)[C@H]([C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)O1
InChIInChI=1S/C20H32O5Si/c1-19(2,3)26(6,7)25-17(14-11-9-8-10-12-14)16(22)18-15(21)13-23-20(4,5)24-18/h8-12,16-18,22H,13H2,1-7H3/t16-,17+,18+/m0/s1
InChIKeyDFYKJIWCDIHFNJ-RCCFBDPRSA-N
MW380.56 g/mol
LogP3.83
Rot. Bonds5

About (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one

(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one (PubChem CID 134837825) has the molecular formula C20H32O5Si and a molecular weight of 380.56 g/mol. Its IUPAC name is (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one
PubChem CID134837825
Molecular FormulaC20H32O5Si
Molecular Weight380.56 g/mol
Exact Mass380.20
IUPAC Name(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)OCC(=O)[C@H]([C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)O1
InChIInChI=1S/C20H32O5Si/c1-19(2,3)26(6,7)25-17(14-11-9-8-10-12-14)16(22)18-15(21)13-23-20(4,5)24-18/h8-12,16-18,22H,13H2,1-7H3/t16-,17+,18+/m0/s1
InChIKeyDFYKJIWCDIHFNJ-RCCFBDPRSA-N
XLogP3.83
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-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 (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The IUPAC name of (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one (CID 134837825) is (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one.
What is the SMILES notation for (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The canonical SMILES for (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one is CC1(C)OCC(=O)[C@H]([C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)O1.
What is the InChIKey of (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The InChIKey is DFYKJIWCDIHFNJ-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H32O5Si/c1-19(2,3)26(6,7)25-17(14-11-9-8-10-12-14)16(22)18-15(21)13-23-20(4,5)24-18/h8-12,16-18,22H,13H2,1-7H3/t16-,17+,18+/m0/s1.
What are the key properties of (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one?
(4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one has a molecular weight of 380.56 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxan-5-one is sourced from PubChem (CID 134837825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).