1-Octadecene

CAS: 112-88-9 · C18H36

2D Structure

Loading 3D structure...

CAS Registry Number

112-88-9

SMILES

C=CCCCCCCCCCCCCCCCC

InChI Key

CCCMONHAUSKTEQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	252.49 g/mol	CAS Common Chemistry
	252.4859999999999 g/mol	RDKit
	252.486 g/mol	RDKit
Density	0.79 g/cm³	CAS Common Chemistry
	0.7857 g/cm3 @ 25 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/1-Octadecene	CAS Common Chemistry
Canonical SMILES	C=CCCCCCCCCCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3	CAS Common Chemistry
InChI Key	InChIKey=CCCMONHAUSKTEQ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	17.5 °C	CAS Common Chemistry
Name	1-Octadecene	CAS Common Chemistry
Heavy Atom Count	18	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	15	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	7.043800000000006	RDKit
	7.0438	RDKit
	6.91	chempirical lib
Molar Refractivity	85.12600000000008 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.8889	RDKit
	0.89	chempirical lib
Exact Mass	252.281701152 g/mol	RDKit
Boiling Point	144-146 °C @ 3 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 = 252.49 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.

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