Back to Search
Molecule
Tricyclo[3.3.1.13,7]Decane-1-Ethanol
CAS: 6240-11-5 · C12H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6240-11-5
- Molecular Formula
- C12H20O
- Molecular Mass
- 180.29 g/mol
Identifiers
CAS Registry Number
6240-11-5
SMILES
OCCC12CC3CC(CC(C3)C1)C2
InChI Key
ZBIDZPHRNBZTLT-UHFFFAOYSA-N
InChI
InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2
Names and Synonyms
- Tricyclo[3.3.1.13,7]Decane-1-Ethanol Synonym
- Tricyclo[3.3.1.13,7]decane-1-ethanol Synonym
- 1-Adamantaneethanol Synonym
- 1-(2-Hydroxyethyl)adamantane Synonym
- 2-(1-Adamantyl)ethanol Synonym
- 1-Adamantylethanol Synonym
- 2-(1-Adamantyl)ethyl alcohol Synonym
- 2-(1-Adamantyl)-1-ethanol Synonym
- 2-(Adamantan-1-yl)ethanol Synonym
- 2-(Adamantan-1-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.29 g/mol | CAS Common Chemistry |
| 180.29099999999997 g/mol | RDKit | |
| 180.291 g/mol | RDKit | |
| Canonical SMILES | OCCC12CC3CC(CC(C3)C1)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBIDZPHRNBZTLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76 °C | CAS Common Chemistry |
| Name | Tricyclo[3.3.1.13,7]decane-1-ethanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.5852000000000004 | RDKit |
| 2.5852 | RDKit | |
| Molar Refractivity | 52.30780000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 180.15141526 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
Convert
Quick conversion
MW = 180.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H20O.
