3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-Diol

CAS: 6790-09-6 | C24H50O13

Loading 3D structure...

CAS Registry Number: 6790-09-6

Molecular Formula: C24H50O13

Molecular Mass: 546.65 g/mol

3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-Diol

3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-diol

Dodecaethylene glycol

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2

NMR, IR, and Mass spectral data

1H NMR

13C NMR

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.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	546.65 g/mol	CAS Common Chemistry
	546.6510000000005 g/mol	RDKit
	546.3251416599999 g/mol	RDKit
Canonical SMILES	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	CAS Common Chemistry
InChI	InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2	CAS Common Chemistry
InChI Key	InChIKey=WRZXKWFJEFFURH-UHFFFAOYSA-N	CAS Common Chemistry
Name	3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-diol	CAS Common Chemistry
Heavy Atom Count	37	RDKit
Hydrogen Bond Acceptors	13	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	34	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	141.99000000000004 Å²	RDKit
LogP	-0.8463999999999898	RDKit
Molar Refractivity	133.18060000000006	RDKit