Back to Search
Molecule
Isoborneol
CAS: 124-76-5 · C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 124-76-5
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
124-76-5
SMILES
CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2
InChI Key
DTGKSKDOIYIVQL-AFAAIUEZNA-N
InChI
InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/s2
Names and Synonyms
- Isoborneol Common Name
- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel- Synonym
- Isoborneol Synonym
- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo- Synonym
- rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol Synonym
- Isobornyl alcohol Synonym
- exo-2-Hydroxy-1,7,7-trimethylnorbornane Synonym
- 2-exo-Bornyl alcohol Synonym
- (±)-Isoborneol Synonym
- dl-Isoborneol Synonym
- DL-Isoborneol Synonym
- NSC 26350 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 |
| 0.9867 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OC1CC2CCC1(C)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=DTGKSKDOIYIVQL-AFAAIUEZNA-N | CAS Common Chemistry |
| Melting Point | 213 °C | CAS Common Chemistry |
| Name | Isoborneol | 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 | 2.1935000000000002 | RDKit |
| 2.1935 | RDKit | |
| Molar Refractivity | 45.23580000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
| Boiling Point | 76-77 °C @ 3 Torr | CAS Common Chemistry |
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 = 154.25 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
