1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane

C17H19ClSi — CID 78156504

IUPAC1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane
SMILESC=CC(c1ccc(Cl)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H19ClSi/c1-4-17(14-10-12-15(18)13-11-14)19(2,3)16-8-6-5-7-9-16/h4-13,17H,1H2,2-3H3
InChIKeySLWQYOANJAPORI-UHFFFAOYSA-N
MW286.88 g/mol
LogP4.76
Rot. Bonds4

About 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane

1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane (PubChem CID 78156504) has the molecular formula C17H19ClSi and a molecular weight of 286.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane
PubChem CID78156504
Molecular FormulaC17H19ClSi
Molecular Weight286.88 g/mol
Exact Mass286.09
IUPAC Name1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane
SMILESC=CC(c1ccc(Cl)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H19ClSi/c1-4-17(14-10-12-15(18)13-11-14)19(2,3)16-8-6-5-7-9-16/h4-13,17H,1H2,2-3H3
InChIKeySLWQYOANJAPORI-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.88
LogP ≤ 54.76
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'}

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Related Compounds

dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
dimethyl-[1-(2-methylphenyl)prop-2-enyl]-phenylsilane
CID 78155432
chloro-dimethyl-(1-phenylprop-2-enyl)silane
CID 21185613
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
[(3S)-4,4-dimethylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 71712408
triethyl-[(1S)-1-phenylprop-2-enyl]silane
CID 134981282
(E)-3-[dimethyl(phenyl)silyl]-1-methoxy-3-phenylprop-1-en-1-ol
CID 15645076
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
CID 14870787
bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
[2-(4-chlorophenyl)-4-methylpent-4-enyl]-dimethyl-phenylsilane
CID 12027466

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane?
The IUPAC name of 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane (CID 78156504) is 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane.
What is the SMILES notation for 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane?
The canonical SMILES for 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane is C=CC(c1ccc(Cl)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane?
The InChIKey is SLWQYOANJAPORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClSi/c1-4-17(14-10-12-15(18)13-11-14)19(2,3)16-8-6-5-7-9-16/h4-13,17H,1H2,2-3H3.
What are the key properties of 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane?
1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane has a molecular weight of 286.88 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)prop-2-enyl-dimethyl-phenylsilane is sourced from PubChem (CID 78156504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).