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Molecule
Nonaethylene Glycol Monododecyl Ether
CAS: 3055-99-0 · C30H62O10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3055-99-0
- Molecular Formula
- C30H62O10
- Molecular Mass
- 582.82 g/mol
Identifiers
CAS Registry Number
3055-99-0
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI Key
ONJQDTZCDSESIW-UHFFFAOYSA-N
InChI
InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
Names and Synonyms
- Nonaethylene Glycol Monododecyl Ether Synonym
- 3,6,9,12,15,18,21,24,27-Nonaoxanonatriacontan-1-ol Synonym
- Do 9/R3 Synonym
- Ethanol, 2-[2-[2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]- Synonym
- Nonaethylene glycol monododecyl ether Synonym
- C12E9 Synonym
- Nonaoxyethylene monododecyl ether Synonym
- C12EO9 Synonym
- 2-[2-[2-[2-[2-[2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 582.82 g/mol | CAS Common Chemistry |
| 582.8160000000005 g/mol | RDKit | |
| 582.816 g/mol | RDKit | |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ONJQDTZCDSESIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33.3-33.6 °C | CAS Common Chemistry |
| Name | Nonaethylene glycol monododecyl ether | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 37 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 103.30000000000003 Ų | RDKit |
| 103.3 Ų | RDKit | |
| LogP | 4.049000000000006 | RDKit |
| 4.049 | RDKit | |
| Molar Refractivity | 156.30079999999978 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 582.4342981839999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 582.82 g/mol. Edit any field — others recompute live.
