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Molecule
9-Octadecen-1-Ol, (9Z)-, Phosphate
CAS: 37310-83-1 · C18H39O5P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 37310-83-1
- Molecular Formula
- C18H39O5P
- Molecular Mass
- 366.48 g/mol
Identifiers
CAS Registry Number
37310-83-1
SMILES
CCCCCCCC/C=CCCCCCCCCO.O=P(O)(O)O
InChI Key
JGVOASSDYQIBIF-KVVVOXFISA-N
InChI
InChI=1S/C18H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10,19H,2-8,11-18H2,1H3;(H3,1,2,3,4)/b10-9-;
Names and Synonyms
- 9-Octadecen-1-Ol, (9Z)-, Phosphate Systematic Name
- 9-Octadecen-1-ol, (9Z)-, phosphate Synonym
- Oleyl alcohol phosphate Synonym
- Oleyl phosphate Synonym
- Phoslex A 18D Synonym
- OLAP Synonym
- Hostaphat KO 300N Synonym
- JP 518O Synonym
- Duraphos APO 128 Synonym
- ILCOphos 208 Synonym
- Tryfac 1046K Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 366.48 g/mol | CAS Common Chemistry |
| 366.4789999999999 g/mol | RDKit | |
| 366.479 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)O.OCCCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10,19H,2-8,11-18H2,1H3;(H3,1,2,3,4)/b10-9-; | CAS Common Chemistry |
| InChI Key | InChIKey=JGVOASSDYQIBIF-KVVVOXFISA-N | CAS Common Chemistry |
| Name | 9-Octadecen-1-ol, (9Z)-, phosphate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| 97.99 Ų | RDKit | |
| LogP | 5.087600000000008 | RDKit |
| 5.0876 | RDKit | |
| Molar Refractivity | 100.80070000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 366.25351097799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 366.48 g/mol. Edit any field — others recompute live.
