Propylene

CAS: 115-07-1 | C3H6

2D Structure

Loading 3D structure...

CAS Registry Number

115-07-1

SMILES

C=CC

InChI Key

QQONPFPTGQHPMA-UHFFFAOYSA-N

InChI

InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	42.08 g/mol	CAS Common Chemistry
	42.080999999999996 g/mol	RDKit
	42.081 g/mol	RDKit
Density	0.50 g/cm³	CAS Common Chemistry
	0.5 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Propylene	CAS Common Chemistry
Canonical SMILES	C=CC	CAS Common Chemistry
InChI	InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3	CAS Common Chemistry
InChI Key	InChIKey=QQONPFPTGQHPMA-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-185 °C	CAS Common Chemistry
Name	Propylene	CAS Common Chemistry
Heavy Atom Count	3	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	1.1923	RDKit
Molar Refractivity	15.871000000000002 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.3333	RDKit
	0.33	chempirical lib
Exact Mass	42.046950192 g/mol	RDKit
Boiling Point	-48 °C @ 760 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.

Other compounds with formula C3H6.