Borneol | SBID = 577 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 3.0 | ||
| 3D Volume/Å3: | 131.3 | ||
| Sum Formula: | C10H18O | ||
| M / g/mol: | 154.25 | ||
| Complexity: | 185.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest
- Name: Borneol
- Preferred Abbreviation: Borneol
- IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
- CAS: 10385-78-1
- CID: 64685
- InChiKey: DTGKSKDOIYIVQL-UHFFFAOYSA-N
- InChi: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
- CanoSmiles: CC1(C2CCC1(C(C2)O)C)C
- IsoSmiles: CC1(C2CCC1(C(C2)O)C)C
