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Decahydro-2-Naphthalenol
CAS: 825-51-4 | C10H18O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
825-51-4
Molecular Formula:
C10H18O
Molecular Mass:
154.25 g/mol
Names and Synonyms:
Decahydro-2-Naphthalenol
2-Naphthalenol, decahydro-
2-Naphthol, decahydro-
Decahydro-2-naphthalenol
2-Decalol
2-Hydroxydecalin
β-Decalol
Decahydro-2-naphthol
NSC 2332
NSC 71562
NSC 84186
Decahydronaphthalen-2-ol
Decahydro-β-naphthol
2-Hydroxydecahydronaphthalene
Identifiers:
SMILES:
OC1CCC2CCCCC2C1
InChI:
InChI=1S/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2
Key Properties
Boiling Point
109 °C
CAS Common Chemistry
Melting Point
99-100 °C
CAS Common Chemistry
Density
0.99 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| 154.135765196 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9889 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 109 °C | CAS Common Chemistry |
| Canonical SMILES | OC1CCC2CCCCC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UPMAOXLCTXPPAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 99-100 °C | CAS Common Chemistry |
| Name | Decahydro-2-naphthalenol | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 2.3376 | RDKit |
| Molar Refractivity | 45.30580000000002 | RDKit |
