1-Heptadecene

CAS: 6765-39-5 · C17H34

2D Structure

Loading 3D structure...

CAS Registry Number

6765-39-5

SMILES

C=CCCCCCCCCCCCCCCC

InChI Key

ADOBXTDBFNCOBN-UHFFFAOYSA-N

InChI

InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	238.46 g/mol	CAS Common Chemistry
	238.45899999999992 g/mol	RDKit
	238.459 g/mol	RDKit
Density	0.79 g/cm³	CAS Common Chemistry
	0.7854 g/cm3 @ 20 °C	CAS Common Chemistry
Boiling Point	300 °C	CAS Common Chemistry
Canonical SMILES	C=CCCCCCCCCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3	CAS Common Chemistry
InChI Key	InChIKey=ADOBXTDBFNCOBN-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	11.5 °C	CAS Common Chemistry
Name	1-Heptadecene	CAS Common Chemistry
Heavy Atom Count	17	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	14	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	6.653700000000006	RDKit
	6.6537	RDKit
	6.52	chempirical lib
Molar Refractivity	80.50900000000007 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.8824	RDKit
	0.88	chempirical lib
Exact Mass	238.266051088 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 = 238.46 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.

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