Tetracosane

CAS: 646-31-1 · C24H50

2D Structure

Loading 3D structure...

CAS Registry Number

646-31-1

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC

InChI Key

POOSGDOYLQNASK-UHFFFAOYSA-N

InChI

InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	338.66 g/mol	CAS Common Chemistry
	338.6640000000001 g/mol	RDKit
	338.664 g/mol	RDKit
Wikipedia Url	https://en.wikipedia.org/wiki/Tetracosane	CAS Common Chemistry
Boiling Point	391.3 °C	CAS Common Chemistry
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3	CAS Common Chemistry
InChI Key	InChIKey=POOSGDOYLQNASK-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	54 °C	CAS Common Chemistry
Name	Tetracosane	CAS Common Chemistry
Heavy Atom Count	24	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	21	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	9.608399999999998	RDKit
	9.6084	RDKit
	9.61	chempirical lib
Molar Refractivity	112.92200000000011 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	338.3912516 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 = 338.66 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)