(+)-beta-Pinene
| PubChem CID | 10290825 |
| Molecular Formula | C10H16 |
| Structure |
|
| Synonyms |
(+)-beta-Pinene
19902-08-0 beta-Pinene, (+)- (1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane (+)-2(10)-Pinene FEMA No. 2903, (+)- IGO73S04D5 2(10)-Pinene, (1R,5R)-(+)- CHEBI:50026 Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1R,5R)- (1R,5R)-pin-2(10)-ene (+)-b-Pinene (1R,5R)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane (1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1R)- Nopinen D-beta-Pinene beta-Pinene-(+) (1R,5R)-2(10)-Pinene (1R)-(+)-beta-Pinene UNII-IGO73S04D5 (+)- beta -Pinene (1R,5R)-beta-pinene D-.BETA.-PINENE (+)-.BETA.-PINENE .BETA.-PINENE-(+) CHEMBL2269085 DTXSID00173682 (+)-beta-Pinene, analytical standard (1R)-(+)-.BETA.-PINENE AKOS025311429 NS00094590 (1R,5R)-6,6-dimethyl-2-methylene-norpinane C20244 EN300-1698783 6,6-dimethyl-2-methylenebicyclo[3.1.1]-heptane J-500364 Q27121761 (1R,5R)-6,6-dimethyl-2-methylene-bicyclo[3.1.1]Heptane (1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-2-ene |
Computed Descriptors
| IUPAC Name | (1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane |
| SMILES | CC1([C@@H]2CCC(=C)[C@H]1C2)C |
| Canonical SMILES | CC1(C2CCC(=C)C1C2)C |
| InChI | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1 |
| InChIKey | WTARULDDTDQWMU-RKDXNWHRSA-N |
Computed Properties
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| Molecular Weight | 136.23 g/mol |
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.125 |
| Monoisotopic Mass | 136.125 |
| Topological Polar Surface Area | 0 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 177 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
2 pairs of Verified P450 and (+)-beta-Pinene
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Dendroctonus ponderosae | CYP345E2 | E | |
| Dendroctonus ponderosae | CYP6DE1 | X |