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

C21H26O3Si — CID 15598348

IUPAC5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OCC1CCC(=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
InChIKeyLZDTYPTYCSPHBT-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.27
Rot. Bonds5

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

5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 15598348) has the molecular formula C21H26O3Si and a molecular weight of 354.52 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
PubChem CID15598348
Molecular FormulaC21H26O3Si
Molecular Weight354.52 g/mol
Exact Mass354.17
IUPAC Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](OCC1CCC(=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
InChIKeyLZDTYPTYCSPHBT-UHFFFAOYSA-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'}

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Related Compounds

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 11036001
3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10571352
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-phenylselanyloxolan-2-one
CID 134937918
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
CID 11374293
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one
CID 11406491
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
CID 11639253
Methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate
CID 14778762
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 25108262
(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 11002733
(3R,5S)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methyldihydrofuran-2(3H)-one
CID 11014072
(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 11014073

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one (CID 15598348) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is CC(C)(C)[Si](OCC1CCC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is LZDTYPTYCSPHBT-UHFFFAOYSA-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.
What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one?
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 5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 15598348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).