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Molecule
(R)-2-Octanol
CAS: 5978-70-1 · C8H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5978-70-1
- Molecular Formula
- C8H18O
- Molecular Mass
- 130.23 g/mol
Identifiers
CAS Registry Number
5978-70-1
SMILES
CCCCCC[C@@H](C)O
InChI Key
SJWFXCIHNDVPSH-MRVPVSSYSA-N
InChI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
Names and Synonyms
- (R)-2-Octanol Synonym
- 2-Octanol, (2R)- Synonym
- 2-Octanol, (R)- Synonym
- (2R)-2-Octanol Synonym
- l-2-Octanol Synonym
- (R)-(-)-2-Octanol Synonym
- (-)-2-Octanol Synonym
- (R)-2-Octanol Synonym
- (R)-(-)-2-Octyl alcohol Synonym
- L-(-)-Octan-2-ol Synonym
- L-2-Octanol Synonym
- (R)-1-Methylheptanol Synonym
- (2R)-Octan-2-ol Synonym
- (2R)-2-Octanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.23 g/mol | CAS Common Chemistry |
| 130.231 g/mol | RDKit | |
| Density | 0.08 g/cm³ | CAS Common Chemistry |
| 0.083 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OC(C)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SJWFXCIHNDVPSH-MRVPVSSYSA-N | CAS Common Chemistry |
| Name | (R)-2-Octanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.3376000000000006 | RDKit |
| 2.3376 | RDKit | |
| Molar Refractivity | 40.439800000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 130.135765196 g/mol | RDKit |
| Boiling Point | 77 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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 = 130.23 g/mol; density = 0.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18O.
