(6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one

C32H40O4Si — CID 11272321

IUPAC(6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one
SMILESCC(C)(C)[Si](O[C@@H](CCOCc1ccccc1)C[C@@H]1CCCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H40O4Si/c1-32(2,3)37(29-17-9-5-10-18-29,30-19-11-6-12-20-30)36-28(24-27-16-13-21-31(33)35-27)22-23-34-25-26-14-7-4-8-15-26/h4-12,14-15,17-20,27-28H,13,16,21-25H2,1-3H3/t27-,28-/m0/s1
InChIKeyOEVJXULACNKOBZ-NSOVKSMOSA-N
MW516.75 g/mol
LogP6.02
Rot. Bonds11

About (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one

(6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one (PubChem CID 11272321) has the molecular formula C32H40O4Si and a molecular weight of 516.75 g/mol. Its IUPAC name is (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one.

Molecular Properties

Compound Name(6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one
PubChem CID11272321
Molecular FormulaC32H40O4Si
Molecular Weight516.75 g/mol
Exact Mass516.27
IUPAC Name(6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one
SMILESCC(C)(C)[Si](O[C@@H](CCOCc1ccccc1)C[C@@H]1CCCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H40O4Si/c1-32(2,3)37(29-17-9-5-10-18-29,30-19-11-6-12-20-30)36-28(24-27-16-13-21-31(33)35-27)22-23-34-25-26-14-7-4-8-15-26/h4-12,14-15,17-20,27-28H,13,16,21-25H2,1-3H3/t27-,28-/m0/s1
InChIKeyOEVJXULACNKOBZ-NSOVKSMOSA-N
XLogP6.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.75
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-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 (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one?
The IUPAC name of (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one (CID 11272321) is (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one.
What is the SMILES notation for (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one?
The canonical SMILES for (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one is CC(C)(C)[Si](O[C@@H](CCOCc1ccccc1)C[C@@H]1CCCC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one?
The InChIKey is OEVJXULACNKOBZ-NSOVKSMOSA-N. The full InChI is InChI=1S/C32H40O4Si/c1-32(2,3)37(29-17-9-5-10-18-29,30-19-11-6-12-20-30)36-28(24-27-16-13-21-31(33)35-27)22-23-34-25-26-14-7-4-8-15-26/h4-12,14-15,17-20,27-28H,13,16,21-25H2,1-3H3/t27-,28-/m0/s1.
What are the key properties of (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one?
(6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one has a molecular weight of 516.75 g/mol, XLogP of 6.02, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-one is sourced from PubChem (CID 11272321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).