Eucalyptol | SBID = 398 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 9.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 128.0 | ||
| Sum Formula: | C10H18O | ||
| M / g/mol: | 154.253 | ||
| Complexity: | 164.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: terpen, typical guest
- Name: Eucalyptol
- Preferred Abbreviation: Eucalyptol
- IUPAC Name: 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
- CAS: 470-82-6
- CID: 2758
- InChiKey: WEEGYLXZBRQIMU-UHFFFAOYSA-N
- InChi: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
- CanoSmiles: CC1(C2CCC(O1)(CC2)C)C
- IsoSmiles: CC1(C2CCC(O1)(CC2)C)C
