(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one

C25H34O3S3Si — CID 175677127

IUPAC(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one
SMILESCSC(SC)(SC)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3S3Si/c1-24(2,3)32(19-13-9-7-10-14-19,20-15-11-8-12-16-20)27-18-22-21(17-23(26)28-22)25(29-4,30-5)31-6/h7-16,21-22H,17-18H2,1-6H3/t21-,22+/m0/s1
InChIKeyOUHGBLUDTRWKPR-FCHUYYIVSA-N
MW506.83 g/mol
LogP5.24
Rot. Bonds9

About (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one (PubChem CID 175677127) has the molecular formula C25H34O3S3Si and a molecular weight of 506.83 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one
PubChem CID175677127
Molecular FormulaC25H34O3S3Si
Molecular Weight506.83 g/mol
Exact Mass506.14
IUPAC Name(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one
SMILESCSC(SC)(SC)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3S3Si/c1-24(2,3)32(19-13-9-7-10-14-19,20-15-11-8-12-16-20)27-18-22-21(17-23(26)28-22)25(29-4,30-5)31-6/h7-16,21-22H,17-18H2,1-6H3/t21-,22+/m0/s1
InChIKeyOUHGBLUDTRWKPR-FCHUYYIVSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.83
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one (CID 175677127) is (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one is CSC(SC)(SC)[C@H]1CC(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one?
The InChIKey is OUHGBLUDTRWKPR-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H34O3S3Si/c1-24(2,3)32(19-13-9-7-10-14-19,20-15-11-8-12-16-20)27-18-22-21(17-23(26)28-22)25(29-4,30-5)31-6/h7-16,21-22H,17-18H2,1-6H3/t21-,22+/m0/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one?
(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one has a molecular weight of 506.83 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[tris(methylsulfanyl)methyl]oxolan-2-one is sourced from PubChem (CID 175677127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).