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(Z)-11-Hexadecenyl Acetate
CAS: 34010-21-4 | C18H34O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34010-21-4
Molecular Formula:
C18H34O2
Molecular Mass:
282.47 g/mol
Names and Synonyms:
(Z)-11-Hexadecenyl Acetate
11-Hexadecen-1-ol, 1-acetate, (11Z)-
11-Hexadecen-1-ol, acetate, (Z)-
11-Hexadecen-1-ol, acetate, (11Z)-
cis-11-Hexadecenyl acetate
cis-11-Hexadecen-1-ol acetate
cis-11-Hexadecen-1-yl acetate
(Z)-11-Hexadecenyl acetate
(Z)-11-Hexadecen-1-ol acetate
(Z)-11-Hexadecen-1-yl acetate
1-Acetoxy-(Z)-11-hexadecene
Z11-16:Ac
(Z)-11-Hexadecen-1-yl acetate
Identifiers:
SMILES:
CCCC/C=CCCCCCCCCCCOC(C)=O
InChI:
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3/b7-6-
Key Properties
Boiling Point
131 °C @ Press: 0.02 Torr
CAS Common Chemistry
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 | 282.47 g/mol | CAS Common Chemistry |
| 282.4679999999999 g/mol | RDKit | |
| 282.255880328 g/mol | RDKit | |
| Boiling Point | 131 °C @ Press: 0.02 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCCCCCCCCC=CCCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3/b7-6- | CAS Common Chemistry |
| InChI Key | InChIKey=BTKXLQSCEOHKTF-SREVYHEPSA-N | CAS Common Chemistry |
| Name | (Z)-11-Hexadecenyl acetate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 5.806800000000005 | RDKit |
| Molar Refractivity | 86.85100000000007 | RDKit |
