(4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one

C25H50O5Si2 — CID 174135176

IUPAC(4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one
SMILESCC[C@@H](CC1O[C@@H]1CC(O[Si](CC)(CC)CC)[C@H]1OC(=O)C[C@@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O5Si2/c1-11-19(29-31(9,10)25(6,7)8)16-20-21(27-20)17-22(24-18(5)15-23(26)28-24)30-32(12-2,13-3)14-4/h18-22,24H,11-17H2,1-10H3/t18-,19-,20?,21+,22?,24-/m0/s1
InChIKeyOKCYDRJVIWTSEX-DNZKTUSWSA-N
MW486.84 g/mol
LogP6.68
Rot. Bonds13

About (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one

(4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one (PubChem CID 174135176) has the molecular formula C25H50O5Si2 and a molecular weight of 486.84 g/mol. Its IUPAC name is (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one
PubChem CID174135176
Molecular FormulaC25H50O5Si2
Molecular Weight486.84 g/mol
Exact Mass486.32
IUPAC Name(4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one
SMILESCC[C@@H](CC1O[C@@H]1CC(O[Si](CC)(CC)CC)[C@H]1OC(=O)C[C@@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O5Si2/c1-11-19(29-31(9,10)25(6,7)8)16-20-21(27-20)17-22(24-18(5)15-23(26)28-24)30-32(12-2,13-3)14-4/h18-22,24H,11-17H2,1-10H3/t18-,19-,20?,21+,22?,24-/m0/s1
InChIKeyOKCYDRJVIWTSEX-DNZKTUSWSA-N
XLogP6.68
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-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

tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane
CID 102051822
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid
CID 10517488
(3S,4S)-4-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-methyloxetan-2-one
CID 10500503
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal
CID 139777190
methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]butanoate
CID 10267051
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
ethyl (2R)-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]propanoate
CID 10352750

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one?
The IUPAC name of (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one (CID 174135176) is (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one is CC[C@@H](CC1O[C@@H]1CC(O[Si](CC)(CC)CC)[C@H]1OC(=O)C[C@@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one?
The InChIKey is OKCYDRJVIWTSEX-DNZKTUSWSA-N. The full InChI is InChI=1S/C25H50O5Si2/c1-11-19(29-31(9,10)25(6,7)8)16-20-21(27-20)17-22(24-18(5)15-23(26)28-24)30-32(12-2,13-3)14-4/h18-22,24H,11-17H2,1-10H3/t18-,19-,20?,21+,22?,24-/m0/s1.
What are the key properties of (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one?
(4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one has a molecular weight of 486.84 g/mol, XLogP of 6.68, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one is sourced from PubChem (CID 174135176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).