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Molecule
(Z)-11-Hexadecenol
CAS: 56683-54-6 · C16H32O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56683-54-6
- Molecular Formula
- C16H32O
- Molecular Mass
- 240.43 g/mol
Identifiers
CAS Registry Number
56683-54-6
SMILES
CCCC/C=CCCCCCCCCCCO
InChI Key
RHVMNRHQWXIJIS-WAYWQWQTSA-N
InChI
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5-
Names and Synonyms
- (Z)-11-Hexadecenol Synonym
- (Z)-11-Hexadecen-1-ol Synonym
- 11-Hexadecen-1-ol, (11Z)- Synonym
- 11-Hexadecen-1-ol, (Z)- Synonym
- (11Z)-11-Hexadecen-1-ol Synonym
- cis-11-Hexadecen-1-ol Synonym
- (Z)-11-Hexadecenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.43 g/mol | CAS Common Chemistry |
| 240.4309999999999 g/mol | RDKit | |
| 240.431 g/mol | RDKit | |
| Boiling Point | 309 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCCC=CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5- | CAS Common Chemistry |
| InChI Key | InChIKey=RHVMNRHQWXIJIS-WAYWQWQTSA-N | CAS Common Chemistry |
| Name | (Z)-11-Hexadecenol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.236000000000006 | RDKit |
| 5.236 | RDKit | |
| Molar Refractivity | 77.30380000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 240.24531564400002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 240.43 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H32O.
