triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane

C27H42Si2 — CID 146164532

IUPACtriethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane
SMILESC=CCc1ccc(-c2ccccc2[Si](CC)(CC)CC)c([Si](CC)(CC)CC)c1
InChIInChI=1S/C27H42Si2/c1-8-17-23-20-21-25(27(22-23)29(12-5,13-6)14-7)24-18-15-16-19-26(24)28(9-2,10-3)11-4/h8,15-16,18-22H,1,9-14,17H2,2-7H3
InChIKeyGVLJACROBWZDLZ-UHFFFAOYSA-N
MW422.81 g/mol
LogP7.51
Rot. Bonds11

About triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane

triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane (PubChem CID 146164532) has the molecular formula C27H42Si2 and a molecular weight of 422.81 g/mol. Its IUPAC name is triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane.

Molecular Properties

Compound Nametriethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane
PubChem CID146164532
Molecular FormulaC27H42Si2
Molecular Weight422.81 g/mol
Exact Mass422.28
IUPAC Nametriethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane
SMILESC=CCc1ccc(-c2ccccc2[Si](CC)(CC)CC)c([Si](CC)(CC)CC)c1
InChIInChI=1S/C27H42Si2/c1-8-17-23-20-21-25(27(22-23)29(12-5,13-6)14-7)24-18-15-16-19-26(24)28(9-2,10-3)11-4/h8,15-16,18-22H,1,9-14,17H2,2-7H3
InChIKeyGVLJACROBWZDLZ-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.81
LogP ≤ 57.51
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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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane?
The IUPAC name of triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane (CID 146164532) is triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane.
What is the SMILES notation for triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane?
The canonical SMILES for triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane is C=CCc1ccc(-c2ccccc2[Si](CC)(CC)CC)c([Si](CC)(CC)CC)c1.
What is the InChIKey of triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane?
The InChIKey is GVLJACROBWZDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42Si2/c1-8-17-23-20-21-25(27(22-23)29(12-5,13-6)14-7)24-18-15-16-19-26(24)28(9-2,10-3)11-4/h8,15-16,18-22H,1,9-14,17H2,2-7H3.
What are the key properties of triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane?
triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane has a molecular weight of 422.81 g/mol, XLogP of 7.51, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(4-prop-2-enyl-2-triethylsilylphenyl)phenyl]silane is sourced from PubChem (CID 146164532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).