2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone

C26H30OSi2 — CID 10525889

IUPAC2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone
SMILESCC(C)(C)[Si](C)(C)C(=C=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30OSi2/c1-26(2,3)28(4,5)25(21-27)29(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20H,1-5H3
InChIKeySCPPTNPDNAQNLT-UHFFFAOYSA-N
MW414.70 g/mol
LogP4.50
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone

2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone (PubChem CID 10525889) has the molecular formula C26H30OSi2 and a molecular weight of 414.70 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone
PubChem CID10525889
Molecular FormulaC26H30OSi2
Molecular Weight414.70 g/mol
Exact Mass414.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone
SMILESCC(C)(C)[Si](C)(C)C(=C=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30OSi2/c1-26(2,3)28(4,5)25(21-27)29(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20H,1-5H3
InChIKeySCPPTNPDNAQNLT-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.70
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triphenyl(1-triphenylsilylpropa-1,2-dienyl)silane
CID 518172
tert-butyl-[(chloro-methyl-oxo-λ6-sulfanylidene)amino]-diphenylsilane
CID 154660343
tert-butyl-dimethyl-triphenylsilylsilane
CID 14143704
tetramethylsilane;trimethyl(phenyl)silane
CID 161005748
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793
magnesium;trimethyl(phenyl)silane;dibromide
CID 175580992
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
(amino-tert-butyl-phenylsilyl)benzene
CID 14007717
tert-butyl-(tert-butyl-phenyl-sulfanylsilyl)-phenyl-sulfanylsilane
CID 11146477

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone (CID 10525889) is 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone is CC(C)(C)[Si](C)(C)C(=C=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone?
The InChIKey is SCPPTNPDNAQNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30OSi2/c1-26(2,3)28(4,5)25(21-27)29(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone?
2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone has a molecular weight of 414.70 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylethenone is sourced from PubChem (CID 10525889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).