Methyldiphenylsilane

CAS: 776-76-1 · C13H14Si

2D Structure

Loading 3D structure...

CAS Registry Number

776-76-1

SMILES

C[SiH](c1ccccc1)c1ccccc1

InChI Key

FULSRCPEOUATID-UHFFFAOYSA-N

InChI

InChI=1S/C13H14Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	198.34 g/mol	CAS Common Chemistry
	198.34099999999998 g/mol	RDKit
	198.341 g/mol	RDKit
Density	1.00 g/cm³	CAS Common Chemistry
	0.997 g/cm3	CAS Common Chemistry
Boiling Point	266-267 °C	CAS Common Chemistry
Canonical SMILES	C=1C=CC(=CC1)[SiH](C=2C=CC=CC2)C	CAS Common Chemistry
InChI	InChI=1S/C13H14Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3	CAS Common Chemistry
InChI Key	InChIKey=FULSRCPEOUATID-UHFFFAOYSA-N	CAS Common Chemistry
Name	Methyldiphenylsilane	CAS Common Chemistry
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	1.6577	RDKit
Molar Refractivity	65.16500000000003 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0769	RDKit
	0.08	chempirical lib
Exact Mass	198.086476978 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 198.34 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)