Tricyclo[3.2.1.02,7]oct-3-ene, 2,3,4,5-tetramethyl-
PubChem CID: 590290
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| Compound Synonyms | 2,3,4,5-Tetramethyltricyclo[3.2.1.02,7]oct-3-ene, 62338-44-7, Tricyclo[3.2.1.02,7]oct-3-ene, 2,3,4,5-tetramethyl-, IAEUJFDBZCCVRV-UHFFFAOYSA-N, DB-302159 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2C3CC1CC23 |
| Deep Smiles | CC=CC)CC)CCC6C)CC65 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CC2C3CC1CC23 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H18 |
| Scaffold Graph Node Bond Level | C1=CC2C3CC1CC23 |
| Inchi Key | IAEUJFDBZCCVRV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3,4,5-tetramethyl |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C(C)C |
| Compound Name | Tricyclo[3.2.1.02,7]oct-3-ene, 2,3,4,5-tetramethyl- |
| Exact Mass | 162.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.27 |
| 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/C12H18/c1-7-8(2)12(4)9-5-11(7,3)6-10(9)12/h9-10H,5-6H2,1-4H3 |
| Smiles | CC1=C(C2(C3C2CC1(C3)C)C)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 Dysphania Botrys (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643608