[(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate

C29H32O6Si — CID 71814984

IUPAC[(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate
SMILESCC(=O)OC1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C29H32O6Si/c1-21(30)33-28-26(34-27(31)22-14-8-5-9-15-22)25(20-32-28)35-36(29(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-26,28H,20H2,1-4H3/t25-,26+,28?/m0/s1
InChIKeyPOPFJOBSNAZLJE-VEPNZUSMSA-N
MW504.66 g/mol
LogP4.08
Rot. Bonds7

About [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate

[(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate (PubChem CID 71814984) has the molecular formula C29H32O6Si and a molecular weight of 504.66 g/mol. Its IUPAC name is [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate
PubChem CID71814984
Molecular FormulaC29H32O6Si
Molecular Weight504.66 g/mol
Exact Mass504.20
IUPAC Name[(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate
SMILESCC(=O)OC1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C29H32O6Si/c1-21(30)33-28-26(34-27(31)22-14-8-5-9-15-22)25(20-32-28)35-36(29(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-26,28H,20H2,1-4H3/t25-,26+,28?/m0/s1
InChIKeyPOPFJOBSNAZLJE-VEPNZUSMSA-N
XLogP4.08
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.66
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate 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

CID 61156
CID 61156
CID 25113553
CID 25113553
CID 298316
CID 298316
CID 11767681
CID 11767681
CID 81455
CID 81455
CID 11754171
CID 11754171
CID 2882578
CID 2882578
CID 229578
CID 229578
CID 10930521
CID 10930521
CID 14094513
CID 14094513
CID 11465641
CID 11465641
CID 10929242
CID 10929242

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate?
The IUPAC name of [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate (CID 71814984) is [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate.
What is the SMILES notation for [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate?
The canonical SMILES for [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate is CC(=O)OC1OC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate?
The InChIKey is POPFJOBSNAZLJE-VEPNZUSMSA-N. The full InChI is InChI=1S/C29H32O6Si/c1-21(30)33-28-26(34-27(31)22-14-8-5-9-15-22)25(20-32-28)35-36(29(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-26,28H,20H2,1-4H3/t25-,26+,28?/m0/s1.
What are the key properties of [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate?
[(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate has a molecular weight of 504.66 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-2-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl] benzoate is sourced from PubChem (CID 71814984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).