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Molecule
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
Identifiers
CAS Registry Number
825-51-4
SMILES
OC1CCC2CCCCC2C1
InChI Key
UPMAOXLCTXPPAG-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2
Names and Synonyms
- Decahydro-2-Naphthalenol Synonym
- 2-Naphthalenol, decahydro- Synonym
- 2-Naphthol, decahydro- Synonym
- Decahydro-2-naphthalenol Synonym
- 2-Decalol Synonym
- 2-Hydroxydecalin Synonym
- β-Decalol Synonym
- Decahydro-2-naphthol Synonym
- NSC 2332 Synonym
- NSC 71562 Synonym
- NSC 84186 Synonym
- Decahydronaphthalen-2-ol Synonym
- Decahydro-β-naphthol Synonym
- 2-Hydroxydecahydronaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9889 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 154.25 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
