(E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one

C27H32OSi2 — CID 101051965

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)C(=O)/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32OSi2/c1-27(2,3)29(4,5)26(28)21-22-30(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-22H,1-5H3/b22-21+
InChIKeyOFKFBDWBFZRQEX-QURGRASLSA-N
MW428.72 g/mol
LogP4.87
Rot. Bonds6

About (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one

(E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one (PubChem CID 101051965) has the molecular formula C27H32OSi2 and a molecular weight of 428.72 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one
PubChem CID101051965
Molecular FormulaC27H32OSi2
Molecular Weight428.72 g/mol
Exact Mass428.20
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)C(=O)/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32OSi2/c1-27(2,3)29(4,5)26(28)21-22-30(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-22H,1-5H3/b22-21+
InChIKeyOFKFBDWBFZRQEX-QURGRASLSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.72
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trimethyl-2,2,2-triphenyldisilane
CID 74058
Methyltriphenylsilane
CID 522714
1,1,1-Trimethyl-3,3,3-triphenyldisiloxane
CID 522728
Acetyltriphenylsilane
CID 5226386
Ethyltriphenylsilane
CID 5219688
1,1,3-Trimethyl-1,3,3-triphenyldisiloxane
CID 26966
(2,2-Difluoro-1-trimethylsilylethenoxy)-triphenylsilane
CID 11464026
(2,2-Difluoro-1-trimethylsilyloxyethenyl)-triphenylsilane
CID 85978761
2-Fluoro-1-triphenylsilylethanone
CID 86003433
tert-butyl-[(Z)-2-[dimethyl(phenyl)silyl]ethenyl]-diphenylsilane
CID 10363647
Tert-butyl-[3-[dimethyl(phenyl)silyl]butyl]-diphenylsilane
CID 10432871
2-cyclohexylideneethyl-[(Z)-2-methylbut-2-enyl]-diphenylsilane
CID 10594710

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one (CID 101051965) is (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one is CC(C)(C)[Si](C)(C)C(=O)/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one?
The InChIKey is OFKFBDWBFZRQEX-QURGRASLSA-N. The full InChI is InChI=1S/C27H32OSi2/c1-27(2,3)29(4,5)26(28)21-22-30(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-22H,1-5H3/b22-21+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one?
(E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one has a molecular weight of 428.72 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one is sourced from PubChem (CID 101051965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).