2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane

C31H34Si — CID 164928453

IUPAC2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane
SMILESCC(C)(C)c1ccc(C(C)(C)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H34Si/c1-30(2,3)25-21-23-26(24-22-25)31(4,5)32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-24H,1-5H3
InChIKeyVPZVVIIXFDLJOQ-UHFFFAOYSA-N
MW434.70 g/mol
LogP5.97
Rot. Bonds5

About 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane

2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane (PubChem CID 164928453) has the molecular formula C31H34Si and a molecular weight of 434.70 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane
PubChem CID164928453
Molecular FormulaC31H34Si
Molecular Weight434.70 g/mol
Exact Mass434.24
IUPAC Name2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane
SMILESCC(C)(C)c1ccc(C(C)(C)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H34Si/c1-30(2,3)25-21-23-26(24-22-25)31(4,5)32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-24H,1-5H3
InChIKeyVPZVVIIXFDLJOQ-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane?
The IUPAC name of 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane (CID 164928453) is 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane.
What is the SMILES notation for 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane?
The canonical SMILES for 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane is CC(C)(C)c1ccc(C(C)(C)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane?
The InChIKey is VPZVVIIXFDLJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Si/c1-30(2,3)25-21-23-26(24-22-25)31(4,5)32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-24H,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane?
2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane has a molecular weight of 434.70 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane is sourced from PubChem (CID 164928453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).