1-Hexadecene

CAS: 629-73-2 · C16H32

2D Structure

Loading 3D structure...

CAS Registry Number

629-73-2

SMILES

C=CCCCCCCCCCCCCCC

InChI Key

GQEZCXVZFLOKMC-UHFFFAOYSA-N

InChI

InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	224.43 g/mol	CAS Common Chemistry
	224.43199999999993 g/mol	RDKit
	224.432 g/mol	RDKit
Density	0.78 g/cm³	CAS Common Chemistry
	0.7811 g/cm3 @ 20 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/1-Hexadecene	CAS Common Chemistry
Canonical SMILES	C=CCCCCCCCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3	CAS Common Chemistry
InChI Key	InChIKey=GQEZCXVZFLOKMC-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	4.1 °C	CAS Common Chemistry
Name	1-Hexadecene	CAS Common Chemistry
Heavy Atom Count	16	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	13	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	6.263600000000006	RDKit
	6.2636	RDKit
	6.13	chempirical lib
Molar Refractivity	75.89200000000007 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.875	RDKit
	0.88	chempirical lib
Exact Mass	224.25040102399998 g/mol	RDKit
Boiling Point	284.4 °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.

Convert

MW = 224.43 g/mol; density = 0.780 g/mL. Edit any field — others recompute live.

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