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Nonaethylene Glycol P-Nonylphenyl Ether
CAS: 14409-72-4 | C33H60O10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14409-72-4
Molecular Formula:
C33H60O10
Molecular Mass:
616.83 g/mol
Names and Synonyms:
Nonaethylene Glycol P-Nonylphenyl Ether
3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(4-nonylphenoxy)-
3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(p-nonylphenoxy)-
26-(4-Nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
Nonaethylene glycol p-nonylphenyl ether
Nonaethylene glycol mono(p-nonylphenyl) ether
P-Nonylphenol nonaethoxylate
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-Nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
InChI:
InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
Spectral Data
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 616.83 g/mol | CAS Common Chemistry |
| 616.8330000000004 g/mol | RDKit | |
| 616.4186481199998 g/mol | RDKit | |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=CC=C(C=C1)CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FBWNMEQMRUMQSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nonaethylene glycol p-nonylphenyl ether | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 35 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 103.30000000000003 Ų | RDKit |
| LogP | 4.483600000000006 | RDKit |
| Molar Refractivity | 167.27179999999962 | RDKit |
