beta-Pinene | SBID = 576 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 119.6 | ||
| Sum Formula: | C10H16 | ||
| M / g/mol: | 136.23 | ||
| Complexity: | 177.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: fungicide
- Name: beta-Pinene
- Preferred Abbreviation: beta-Pinene
- IUPAC Name: 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
- CAS: 25719-60-2
- CID: 14896
- InChiKey: WTARULDDTDQWMU-UHFFFAOYSA-N
- InChi: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
- CanoSmiles: CC1(C2CCC(=C)C1C2)C
- IsoSmiles: CC1(C2CCC(=C)C1C2)C
