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Decahydro-2-Naphthalenol
CAS: 825-51-4 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
825-51-4
Molecular Formula:
C10H18O
Molecular Weight:
154.253 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.25 g/mol | Legacy Database |
| density | 0.99 g/cm³ | Legacy Database | |
| cas-boiling-point | 109 °C | Legacy Database | |
| cas-canonical-smile | OC1CCC2CCCCC2C1 | Legacy Database | |
| cas-density | 0.9889 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2 | Legacy Database | |
| cas-inchi-key | InChIKey=UPMAOXLCTXPPAG-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 99-100 °C | Legacy Database | |
| cas-name | Decahydro-2-naphthalenol | Legacy Database | |
| LogP | 2.3376 | RDKit | |
| Molecular | Molecular Weight | 154.253 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.135765196 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Molar | Molar Refractivity | 45.30580000000002 | RDKit |
