but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane

C21H24Si — CID 10709670

IUPACbut-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane
SMILESC=CCC[Si](/C=C/C(=C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24Si/c1-4-5-17-22(18-16-19(2)3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h4,6-16,18H,1-2,5,17H2,3H3/b18-16+
InChIKeyGUZBRIBFACBNKJ-FBMGVBCBSA-N
MW304.51 g/mol
LogP4.50
Rot. Bonds7

About but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane

but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane (PubChem CID 10709670) has the molecular formula C21H24Si and a molecular weight of 304.51 g/mol. Its IUPAC name is but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane.

Molecular Properties

Compound Namebut-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane
PubChem CID10709670
Molecular FormulaC21H24Si
Molecular Weight304.51 g/mol
Exact Mass304.16
IUPAC Namebut-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane
SMILESC=CCC[Si](/C=C/C(=C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24Si/c1-4-5-17-22(18-16-19(2)3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h4,6-16,18H,1-2,5,17H2,3H3/b18-16+
InChIKeyGUZBRIBFACBNKJ-FBMGVBCBSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-5-[but-3-enyl(diphenyl)silyl]penta-2,4-dienoate
CID 10546621
but-3-enyl-methyl-phenyl-prop-2-enylsilane
CID 175181643
but-3-enyl(trimethyl)silane;ethenyl-dimethyl-phenylsilane
CID 175590595
chloro-hex-5-enyl-methyl-phenylsilane
CID 54080342
chloro-methyl-oct-7-enyl-phenylsilane
CID 54527858
1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol
CID 22967163
[(1E)-dodeca-1,11-dienyl]-triphenylsilane
CID 135057523
dimethyl-(3-methylocta-1,2,7-trienyl)-phenylsilane
CID 15400973
but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane
CID 140727695
[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane
CID 101153076
[(2Z)-hepta-2,6-dienyl]-dimethyl-phenylsilane
CID 12992255
[(3Z)-5,5-dimethylhexa-1,3-dien-2-yl]-dimethyl-phenylsilane
CID 102464112

Frequently Asked Questions

What is the IUPAC name of but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane?
The IUPAC name of but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane (CID 10709670) is but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane.
What is the SMILES notation for but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane?
The canonical SMILES for but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane is C=CCC[Si](/C=C/C(=C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane?
The InChIKey is GUZBRIBFACBNKJ-FBMGVBCBSA-N. The full InChI is InChI=1S/C21H24Si/c1-4-5-17-22(18-16-19(2)3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h4,6-16,18H,1-2,5,17H2,3H3/b18-16+.
What are the key properties of but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane?
but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane has a molecular weight of 304.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane is sourced from PubChem (CID 10709670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).