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Molecule
Cyclododecanol
CAS: 1724-39-6 · C12H24O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1724-39-6
- Molecular Formula
- C12H24O
- Molecular Mass
- 184.32 g/mol
Identifiers
CAS Registry Number
1724-39-6
SMILES
OC1CCCCCCCCCCC1
InChI Key
SFVWPXMPRCIVOK-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2
Names and Synonyms
- Cyclododecanol Synonym
- Cyclododecanol Synonym
- NSC 524960 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| InChI Key | InChIKey=SFVWPXMPRCIVOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76-79 °C | CAS Common Chemistry |
| Name | Cyclododecanol | CAS Common Chemistry |
| Molecular Mass | 184.32 g/mol | CAS Common Chemistry |
| 184.32299999999995 g/mol | RDKit | |
| 184.323 g/mol | RDKit | |
| Canonical SMILES | OC1CCCCCCCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2 | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.652000000000003 | RDKit |
| 3.652 | RDKit | |
| Molar Refractivity | 56.793800000000054 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 184.182715388 g/mol | RDKit |
| Boiling Point | 128-130 °C @ 20 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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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 = 184.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H24O.
