(4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one

C28H38O5Si — CID 100945934

IUPAC(4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one
SMILESCC1(C)OC1CC[C@](C)(O)[C@H]1OC(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H38O5Si/c1-26(2,3)34(20-13-9-7-10-14-20,21-15-11-8-12-16-21)33-22-19-24(29)31-25(22)28(6,30)18-17-23-27(4,5)32-23/h7-16,22-23,25,30H,17-19H2,1-6H3/t22-,23?,25-,28-/m0/s1
InChIKeyQOLYSWOAAKYIGG-SDKJUFGRSA-N
MW482.69 g/mol
LogP3.96
Rot. Bonds8

About (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one

(4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one (PubChem CID 100945934) has the molecular formula C28H38O5Si and a molecular weight of 482.69 g/mol. Its IUPAC name is (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one
PubChem CID100945934
Molecular FormulaC28H38O5Si
Molecular Weight482.69 g/mol
Exact Mass482.25
IUPAC Name(4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one
SMILESCC1(C)OC1CC[C@](C)(O)[C@H]1OC(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H38O5Si/c1-26(2,3)34(20-13-9-7-10-14-20,21-15-11-8-12-16-21)33-22-19-24(29)31-25(22)28(6,30)18-17-23-27(4,5)32-23/h7-16,22-23,25,30H,17-19H2,1-6H3/t22-,23?,25-,28-/m0/s1
InChIKeyQOLYSWOAAKYIGG-SDKJUFGRSA-N
XLogP3.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.69
LogP ≤ 53.96
H-Bond Donors ≤ 51
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)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-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

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
CID 11005929
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
(2R,3S,5Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3,4,7,8-tetrahydro-2H-oxonin-9-one
CID 24797076
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one
CID 15748769
(3aR,4S,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70653983
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
(3aS,4S,5S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10573641
methyl (1R,5S,9R,10S,13R)-10-[tert-butyl(diphenyl)silyl]oxy-6-methyl-3-oxo-2-oxatricyclo[7.3.1.05,13]tridec-6-ene-13-carboxylate
CID 101041354
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 19358695
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one?
The IUPAC name of (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one (CID 100945934) is (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one?
The canonical SMILES for (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one is CC1(C)OC1CC[C@](C)(O)[C@H]1OC(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one?
The InChIKey is QOLYSWOAAKYIGG-SDKJUFGRSA-N. The full InChI is InChI=1S/C28H38O5Si/c1-26(2,3)34(20-13-9-7-10-14-20,21-15-11-8-12-16-21)33-22-19-24(29)31-25(22)28(6,30)18-17-23-27(4,5)32-23/h7-16,22-23,25,30H,17-19H2,1-6H3/t22-,23?,25-,28-/m0/s1.
What are the key properties of (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one?
(4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one has a molecular weight of 482.69 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2S)-4-(3,3-dimethyloxiran-2-yl)-2-hydroxybutan-2-yl]oxolan-2-one is sourced from PubChem (CID 100945934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).