Pseudocarene
PubChem CID: 121493613
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| Compound Synonyms | PSEUDOCARENE, Pseudocarene, (-)-, .BETA.-CARENE, 3(10)-Carene, .PSI.-CARENE, RTR3M4S6PR, PSEUDOCARENE [HSDB], Norcarane, 7,7-dimethyl-3-methylene-, I8X0P79MKY, (-)-3(10)-Carene, 554-60-9, DTXSID101017540, 3(10)-Carene, (1R,6S)-(-)-, Bicyclo(4.1.0)heptane, 7,7-dimethyl-3-methylene-, Psi-carene, Bicyclo(4.1.0)heptane, 7,7-dimethyl-3-methylene-, (1R)-, 5503-91-3, HSDB 2802, betaCarene, psiCarene, 3(10)Carene, UNII-RTR3M4S6PR, Norcarane, 7,7dimethyl3methylene, DTXCID001475729, Bicyclo(4.1.0)heptane, 7,7dimethyl3methylene, Q27280585 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC2C1 |
| Np Classifier Class | Carane monoterpenoids |
| Deep Smiles | C=CCC[C@H][C@@H]C6)C3C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | CC1CCC2CC2C1 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,6S)-7,7-dimethyl-3-methylidenebicyclo[4.1.0]heptane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C=C1CCC2CC2C1 |
| Inchi Key | LCWMKIHBLJLORW-DTWKUNHWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | beta-carene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C |
| Compound Name | Pseudocarene |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1 |
| Smiles | CC1([C@@H]2[C@H]1CC(=C)CC2)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Roxburghii (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279