(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one

C33H44OSiSn — CID 14934034

IUPAC(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
SMILESCCCC[Sn](/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C21H17OSi.3C4H9.Sn/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;3*1-3-4-2;/h1-17H;3*1,3-4H2,2H3;
InChIKeyYAKHEKQUDLYXOO-UHFFFAOYSA-N
MW603.51 g/mol
LogP7.21
Rot. Bonds15

About (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one

(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one (PubChem CID 14934034) has the molecular formula C33H44OSiSn and a molecular weight of 603.51 g/mol. Its IUPAC name is (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
PubChem CID14934034
Molecular FormulaC33H44OSiSn
Molecular Weight603.51 g/mol
Exact Mass604.22
IUPAC Name(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
SMILESCCCC[Sn](/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C21H17OSi.3C4H9.Sn/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;3*1-3-4-2;/h1-17H;3*1,3-4H2,2H3;
InChIKeyYAKHEKQUDLYXOO-UHFFFAOYSA-N
XLogP7.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.51
LogP ≤ 57.21
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

Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
Acetyltriphenylsilane
CID 5226386
2,2-Difluoro-1-triphenylsilylethanone
CID 86003413
2-Fluoro-1-triphenylsilylethanone
CID 86003433
(E)-1-triphenylgermylbut-2-en-1-one
CID 11646445
2-[Tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one
CID 14451174
(E)-3-iodo-1-triphenylsilylprop-2-en-1-one
CID 14934032
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037
3-Methyl-1-triphenylsilylbut-2-en-1-one
CID 14976916
Triphenylsilyl vinyl ketone
CID 15033005
(E)-1-triphenylsilylhept-2-en-1-one
CID 15033619

Frequently Asked Questions

What is the IUPAC name of (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one?
The IUPAC name of (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one (CID 14934034) is (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one?
The canonical SMILES for (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one is CCCC[Sn](/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC.
What is the InChIKey of (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one?
The InChIKey is YAKHEKQUDLYXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17OSi.3C4H9.Sn/c1-2-21(22)23(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;3*1-3-4-2;/h1-17H;3*1,3-4H2,2H3;.
What are the key properties of (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one?
(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one has a molecular weight of 603.51 g/mol, XLogP of 7.21, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one is sourced from PubChem (CID 14934034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).