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Molecule
Codlemone
CAS: 33956-49-9 · C12H22O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33956-49-9
- Molecular Formula
- C12H22O
- Molecular Mass
- 182.31 g/mol
Identifiers
CAS Registry Number
33956-49-9
SMILES
C/C=C/C=C/CCCCCCCO
InChI Key
CSWBSLXBXRFNST-MQQKCMAXSA-N
InChI
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
Names and Synonyms
- Codlemone Synonym
- 8,10-Dodecadien-1-ol, (8E,10E)- Synonym
- 8,10-Dodecadien-1-ol, (E,E)- Synonym
- (8E,10E)-8,10-Dodecadien-1-ol Synonym
- trans-8,trans-10-Dodecadien-1-ol Synonym
- Codlemone Synonym
- 8-trans,10-trans-Dodecadien-1-ol Synonym
- Codlelure Synonym
- (E,E)-8,10-Dodecadienol Synonym
- Feroflon SR 2 Synonym
- Feroflor SR 2 Synonym
- (8E,10E)-Dodecadien-1-ol Synonym
- CP-MK Synonym
- (E,E)-8,10-Dodecadien-1-ol Synonym
- (E,E)-8,10-Dodecadien-l-ol Synonym
- trans-trans-8,10-Dodecadien-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.31 g/mol | CAS Common Chemistry |
| 182.307 g/mol | RDKit | |
| Boiling Point | 115 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCC=CC=CC | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+ | CAS Common Chemistry |
| InChI Key | InChIKey=CSWBSLXBXRFNST-MQQKCMAXSA-N | CAS Common Chemistry |
| Melting Point | 32 °C | CAS Common Chemistry |
| Name | Codlemone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.451600000000002 | RDKit |
| 3.4516 | RDKit | |
| Molar Refractivity | 58.74180000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 182.167065324 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 = 182.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H22O.
