(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione

C26H36O4S2Si — CID 155642227

IUPAC(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione
SMILESCCOC(C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(=S)S1)OCC
InChIInChI=1S/C26H36O4S2Si/c1-6-27-24(28-7-2)18-22(23-19-29-25(31)32-23)30-33(26(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-24H,6-7,18-19H2,1-5H3/t22-,23+/m0/s1
InChIKeyZVOUTXZDMHWTIS-XZOQPEGZSA-N
MW504.79 g/mol
LogP5.14
Rot. Bonds11

About (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione

(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione (PubChem CID 155642227) has the molecular formula C26H36O4S2Si and a molecular weight of 504.79 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione
PubChem CID155642227
Molecular FormulaC26H36O4S2Si
Molecular Weight504.79 g/mol
Exact Mass504.18
IUPAC Name(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione
SMILESCCOC(C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(=S)S1)OCC
InChIInChI=1S/C26H36O4S2Si/c1-6-27-24(28-7-2)18-22(23-19-29-25(31)32-23)30-33(26(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-24H,6-7,18-19H2,1-5H3/t22-,23+/m0/s1
InChIKeyZVOUTXZDMHWTIS-XZOQPEGZSA-N
XLogP5.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.79
LogP ≤ 55.14
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione 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 (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione?
The IUPAC name of (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione (CID 155642227) is (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione.
What is the SMILES notation for (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione?
The canonical SMILES for (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione is CCOC(C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC(=S)S1)OCC.
What is the InChIKey of (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione?
The InChIKey is ZVOUTXZDMHWTIS-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H36O4S2Si/c1-6-27-24(28-7-2)18-22(23-19-29-25(31)32-23)30-33(26(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-24H,6-7,18-19H2,1-5H3/t22-,23+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione?
(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione has a molecular weight of 504.79 g/mol, XLogP of 5.14, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione is sourced from PubChem (CID 155642227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).