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Molecule
(Z)-11-Hexadecenyl Acetate
CAS: 34010-21-4 · C18H34O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 34010-21-4
- Molecular Formula
- C18H34O2
- Molecular Mass
- 282.47 g/mol
Identifiers
CAS Registry Number
34010-21-4
SMILES
CCCC/C=CCCCCCCCCCCOC(C)=O
InChI Key
BTKXLQSCEOHKTF-SREVYHEPSA-N
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-
Names and Synonyms
- (Z)-11-Hexadecenyl Acetate Common Name
- 11-Hexadecen-1-ol, 1-acetate, (11Z)- Synonym
- 11-Hexadecen-1-ol, acetate, (Z)- Synonym
- 11-Hexadecen-1-ol, acetate, (11Z)- Synonym
- cis-11-Hexadecenyl acetate Synonym
- cis-11-Hexadecen-1-ol acetate Synonym
- cis-11-Hexadecen-1-yl acetate Synonym
- (Z)-11-Hexadecenyl acetate Synonym
- (Z)-11-Hexadecen-1-ol acetate Synonym
- (Z)-11-Hexadecen-1-yl acetate Synonym
- 1-Acetoxy-(Z)-11-hexadecene Synonym
- Z11-16:Ac Synonym
- (Z)-11-Hexadecen-1-yl acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.47 g/mol | CAS Common Chemistry |
| 282.4679999999999 g/mol | RDKit | |
| 282.468 g/mol | RDKit | |
| 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 |
| 5.8068 | RDKit | |
| 6.03 | chempirical lib | |
| Molar Refractivity | 86.85100000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 282.255880328 g/mol | RDKit |
| Boiling Point | 131 °C @ 0.02 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 282.47 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H34O2.
