Dimethyl Diselenide

CAS: 7101-31-7 · C2H6Se2

2D Structure

Loading 3D structure...

CAS Registry Number

7101-31-7

SMILES

C[Se][Se]C

InChI Key

VLXBWPOEOIIREY-UHFFFAOYSA-N

InChI

InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	187.99 g/mol	CAS Common Chemistry
	189.879992792 g/mol	RDKit
Density	2.01 g/cm³	CAS Common Chemistry
	2.009 g/cm3 @ 20 °C	CAS Common Chemistry
Boiling Point	156 °C	CAS Common Chemistry
Canonical SMILES	[Se]([Se]C)C	CAS Common Chemistry
InChI	InChI=1S/C2H6Se2/c1-3-4-2/h1-2H3	CAS Common Chemistry
InChI Key	InChIKey=VLXBWPOEOIIREY-UHFFFAOYSA-N	CAS Common Chemistry
Name	Dimethyl diselenide	CAS Common Chemistry
Heavy Atom Count	4	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	0.4059999999999999	RDKit
	0.406	RDKit
Molar Refractivity	23.23599999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	187.98999999999998 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 = 187.99 g/mol; density = 2.010 g/mL. Edit any field — others recompute live.

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