Diethyl Diselenide

CAS: 628-39-7 · C4H10Se2

2D Structure

Loading 3D structure...

CAS Registry Number

628-39-7

SMILES

CC[Se][Se]CC

InChI Key

OMAWWKIPXLIPDE-UHFFFAOYSA-N

InChI

InChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Density	1.68 g/cm³	CAS Common Chemistry
	1.6798 g/cm3 @ 20 °C	CAS Common Chemistry
Canonical SMILES	[Se]([Se]CC)CC	CAS Common Chemistry
InChI	InChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3	CAS Common Chemistry
InChI Key	InChIKey=OMAWWKIPXLIPDE-UHFFFAOYSA-N	CAS Common Chemistry
Name	Diethyl diselenide	CAS Common Chemistry
Molecular Mass	216.04399999999995 g/mol	RDKit
	217.91129292 g/mol	RDKit
	216.044 g/mol	RDKit
Heavy Atom Count	6	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	1.1862	RDKit
Molar Refractivity	32.46999999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	216.04 g/mol	CAS Common Chemistry
Boiling Point	74-75 °C @ 14 Torr	CAS Common Chemistry

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 = 216.04 g/mol; density = 1.680 g/mL. Edit any field — others recompute live.

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