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Molecule
(Z)-7-Dodecenyl Acetate
CAS: 14959-86-5 · C14H26O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14959-86-5
- Molecular Formula
- C14H26O2
- Molecular Mass
- 226.36 g/mol
Identifiers
CAS Registry Number
14959-86-5
SMILES
CCCC/C=CCCCCCCOC(C)=O
InChI Key
MUZGQHWTRUVFLG-SREVYHEPSA-N
InChI
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3/b7-6-
Names and Synonyms
- (Z)-7-Dodecenyl Acetate Common Name
- 7-Dodecen-1-ol, acetate, (7Z)- Synonym
- 7-Dodecen-1-ol, acetate, (Z)- Synonym
- cis-7-Dodecenyl acetate Synonym
- cis-7-Dodecen-1-ol acetate Synonym
- cis-7-Dodecen-1-yl acetate Synonym
- Looplure Synonym
- (Z)-7-Dodecen-1-ol acetate Synonym
- cis-1-Acetoxy-7-dodecene Synonym
- (Z)-7-Dodecenyl acetate Synonym
- (Z)-7-Dodecen-1-yl acetate Synonym
- (Z)-1-Acetoxy-7-dodecene Synonym
- MK 26 Synonym
- Z7-Dodecenyl acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.36 g/mol | CAS Common Chemistry |
| 226.35999999999993 g/mol | RDKit | |
| Boiling Point | 98-100 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCCCCC=CCCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3/b7-6- | CAS Common Chemistry |
| InChI Key | InChIKey=MUZGQHWTRUVFLG-SREVYHEPSA-N | CAS Common Chemistry |
| Name | (Z)-7-Dodecenyl acetate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.246400000000003 | RDKit |
| 4.2464 | RDKit | |
| 4.47 | chempirical lib | |
| Molar Refractivity | 68.38300000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7857 | RDKit |
| 0.79 | chempirical lib | |
| Exact Mass | 226.193280072 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 |
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200 ppm
180
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| 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 = 226.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H26O2.
