trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane

C14H22Si — CID 102166137

IUPACtrimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
SMILESC/C(=C\c1ccccc1)CC[Si](C)(C)C
InChIInChI=1S/C14H22Si/c1-13(10-11-15(2,3)4)12-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/b13-12+
InChIKeyJSBSDHDKOSGDDG-OUKQBFOZSA-N
MW218.42 g/mol
LogP4.82
Rot. Bonds4

About trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane

trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane (PubChem CID 102166137) has the molecular formula C14H22Si and a molecular weight of 218.42 g/mol. Its IUPAC name is trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
PubChem CID102166137
Molecular FormulaC14H22Si
Molecular Weight218.42 g/mol
Exact Mass218.15
IUPAC Nametrimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
SMILESC/C(=C\c1ccccc1)CC[Si](C)(C)C
InChIInChI=1S/C14H22Si/c1-13(10-11-15(2,3)4)12-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/b13-12+
InChIKeyJSBSDHDKOSGDDG-OUKQBFOZSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane?
The IUPAC name of trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane (CID 102166137) is trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane?
The canonical SMILES for trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane is C/C(=C\c1ccccc1)CC[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane?
The InChIKey is JSBSDHDKOSGDDG-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H22Si/c1-13(10-11-15(2,3)4)12-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3/b13-12+.
What are the key properties of trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane?
trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane has a molecular weight of 218.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane is sourced from PubChem (CID 102166137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).