(4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane

C20H30Si — CID 69448659

IUPAC(4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane
SMILESC=Cc1ccc([Si](C)(C)C2(C)CCC3CC2C3(C)C)cc1
InChIInChI=1S/C20H30Si/c1-7-15-8-10-17(11-9-15)21(5,6)20(4)13-12-16-14-18(20)19(16,2)3/h7-11,16,18H,1,12-14H2,2-6H3
InChIKeyQZFUBGDBAUEDPR-UHFFFAOYSA-N
MW298.55 g/mol
LogP5.46
Rot. Bonds3

About (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane

(4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane (PubChem CID 69448659) has the molecular formula C20H30Si and a molecular weight of 298.55 g/mol. Its IUPAC name is (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane.

Molecular Properties

Compound Name(4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane
PubChem CID69448659
Molecular FormulaC20H30Si
Molecular Weight298.55 g/mol
Exact Mass298.21
IUPAC Name(4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane
SMILESC=Cc1ccc([Si](C)(C)C2(C)CCC3CC2C3(C)C)cc1
InChIInChI=1S/C20H30Si/c1-7-15-8-10-17(11-9-15)21(5,6)20(4)13-12-16-14-18(20)19(16,2)3/h7-11,16,18H,1,12-14H2,2-6H3
InChIKeyQZFUBGDBAUEDPR-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 55.46
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 (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane?
The IUPAC name of (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane (CID 69448659) is (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane.
What is the SMILES notation for (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane?
The canonical SMILES for (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane is C=Cc1ccc([Si](C)(C)C2(C)CCC3CC2C3(C)C)cc1.
What is the InChIKey of (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane?
The InChIKey is QZFUBGDBAUEDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si/c1-7-15-8-10-17(11-9-15)21(5,6)20(4)13-12-16-14-18(20)19(16,2)3/h7-11,16,18H,1,12-14H2,2-6H3.
What are the key properties of (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane?
(4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane has a molecular weight of 298.55 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)-dimethyl-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)silane is sourced from PubChem (CID 69448659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).