Back to Search
9-Octadecen-1-Ol, (9Z)-, Phosphate
CAS: 37310-83-1 | C18H39O5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37310-83-1
Molecular Formula:
C18H39O5P
Molecular Mass:
366.48 g/mol
Names and Synonyms:
9-Octadecen-1-Ol, (9Z)-, Phosphate
9-Octadecen-1-ol, (9Z)-, phosphate
Oleyl alcohol phosphate
Oleyl phosphate
Phoslex A 18D
OLAP
Hostaphat KO 300N
JP 518O
Duraphos APO 128
ILCOphos 208
Tryfac 1046K
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCCO.O=P(O)(O)O
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-;
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 | 366.48 g/mol | CAS Common Chemistry |
| 366.4789999999999 g/mol | RDKit | |
| 366.25351097799995 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 |
| LogP | 5.087600000000008 | RDKit |
| Molar Refractivity | 100.80070000000005 | RDKit |
