(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

C21H26O3Si — CID 11002733

IUPAC(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O3Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyLZDTYPTYCSPHBT-KRWDZBQOSA-N
MW354.52 g/mol
LogP3.27
Rot. Bonds5

About (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one

(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 11002733) has the molecular formula C21H26O3Si and a molecular weight of 354.52 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
PubChem CID11002733
Molecular FormulaC21H26O3Si
Molecular Weight354.52 g/mol
Exact Mass354.17
IUPAC Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O3Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyLZDTYPTYCSPHBT-KRWDZBQOSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]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 (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (CID 11002733) is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is CC(C)(C)[Si](OC[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is LZDTYPTYCSPHBT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26O3Si/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17H,14-16H2,1-3H3/t17-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one has a molecular weight of 354.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 11002733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).