3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one

C22H26Cl2O2Si — CID 66739441

IUPAC3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CC(=O)C1(Cl)Cl
InChIInChI=1S/C22H26Cl2O2Si/c1-16(19-15-20(25)22(19,23)24)26-27(21(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3
InChIKeyGIIHQZKZUYCSIL-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.71
Rot. Bonds5

About 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one

3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one (PubChem CID 66739441) has the molecular formula C22H26Cl2O2Si and a molecular weight of 421.44 g/mol. Its IUPAC name is 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one.

Molecular Properties

Compound Name3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one
PubChem CID66739441
Molecular FormulaC22H26Cl2O2Si
Molecular Weight421.44 g/mol
Exact Mass420.11
IUPAC Name3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CC(=O)C1(Cl)Cl
InChIInChI=1S/C22H26Cl2O2Si/c1-16(19-15-20(25)22(19,23)24)26-27(21(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3
InChIKeyGIIHQZKZUYCSIL-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one 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

(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-3,3-dichlorooxetan-2-one
CID 134874257
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane
CID 57379185
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
CID 11175995
6-[1-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
CID 140747666
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 123743890
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-[(1S)-1-(2,4-dihydro-1H-3,1-benzoxazin-2-yl)ethoxy]-diphenylsilane
CID 10549907
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692304
(NE,S)-N-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
CID 11452753
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-oxoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11072519

Frequently Asked Questions

What is the IUPAC name of 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one?
The IUPAC name of 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one (CID 66739441) is 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one.
What is the SMILES notation for 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one?
The canonical SMILES for 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one is CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CC(=O)C1(Cl)Cl.
What is the InChIKey of 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one?
The InChIKey is GIIHQZKZUYCSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2O2Si/c1-16(19-15-20(25)22(19,23)24)26-27(21(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3.
What are the key properties of 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one?
3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one has a molecular weight of 421.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dichlorocyclobutan-1-one is sourced from PubChem (CID 66739441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).