2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one

C21H26O2Si — CID 14862243

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
SMILESCC(C)(C)[Si](OCC1CCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-21(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(17)22/h4-13,17H,14-16H2,1-3H3
InChIKeyRCERBEVWANSHPL-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.54
Rot. Bonds5

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one

2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one (PubChem CID 14862243) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
PubChem CID14862243
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
SMILESCC(C)(C)[Si](OCC1CCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-21(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(17)22/h4-13,17H,14-16H2,1-3H3
InChIKeyRCERBEVWANSHPL-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylidenepyrrolidin-2-one
CID 164561891
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 22169739
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
1-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxythiolan-1-ium-1-yl]ethanone
CID 172826315

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one (CID 14862243) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one is CC(C)(C)[Si](OCC1CCC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one?
The InChIKey is RCERBEVWANSHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-21(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(17)22/h4-13,17H,14-16H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one has a molecular weight of 338.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one is sourced from PubChem (CID 14862243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).