1,1-diphenylsilocane

C19H24Si — CID 69463623

IUPAC1,1-diphenylsilocane
SMILESc1ccc([Si]2(c3ccccc3)CCCCCCC2)cc1
InChIInChI=1S/C19H24Si/c1-2-10-16-20(17-11-3-1,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2
InChIKeyKPLBELNSTWVYHZ-UHFFFAOYSA-N
MW280.49 g/mol
LogP4.21
Rot. Bonds2

About 1,1-diphenylsilocane

1,1-diphenylsilocane (PubChem CID 69463623) has the molecular formula C19H24Si and a molecular weight of 280.49 g/mol. Its IUPAC name is 1,1-diphenylsilocane.

Molecular Properties

Compound Name1,1-diphenylsilocane
PubChem CID69463623
Molecular FormulaC19H24Si
Molecular Weight280.49 g/mol
Exact Mass280.16
IUPAC Name1,1-diphenylsilocane
SMILESc1ccc([Si]2(c3ccccc3)CCCCCCC2)cc1
InChIInChI=1S/C19H24Si/c1-2-10-16-20(17-11-3-1,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2
InChIKeyKPLBELNSTWVYHZ-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 54.21
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 1,1-diphenylsilocane?
The IUPAC name of 1,1-diphenylsilocane (CID 69463623) is 1,1-diphenylsilocane.
What is the SMILES notation for 1,1-diphenylsilocane?
The canonical SMILES for 1,1-diphenylsilocane is c1ccc([Si]2(c3ccccc3)CCCCCCC2)cc1.
What is the InChIKey of 1,1-diphenylsilocane?
The InChIKey is KPLBELNSTWVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Si/c1-2-10-16-20(17-11-3-1,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2.
What are the key properties of 1,1-diphenylsilocane?
1,1-diphenylsilocane has a molecular weight of 280.49 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylsilocane is sourced from PubChem (CID 69463623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).