Tricyclo(2.2.1.02,6)heptane
PubChem CID: 78962
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| Compound Synonyms | Nortricyclene, 279-19-6, Tricyclo[2.2.1.02,6]heptane, Nortricyclane, Nortricyclen, Tricyclo(2.2.1.02,6)heptane, Tricyclo[2.2.1.0(2,6)]heptane, ME44RD0BVI, UNII-ME44RD0BVI, NSC 78724, NSC-78724, DTXSID90182187, tricyclo[2.2.1.0~2,6~]heptane, Tricyclo(2.2.1.0)heptane, Tricyclo[2.2.1.0]heptane, (1R,2S,4S,6r)-Tricyclo[2.2.1.02,6]heptane, Tricyclo[2.2.1.0dimethyl2dimethyl,dimethyl6]heptane, tricyclo(2.2.1.0~2,6~)heptane, Tricyclo(2.2.1.0(2,6))heptane, Tricyclo(2.2.1.0dimethyl2dimethyl,dimethyl6)heptane, DTXCID00104678, NSC78724, Tricyclo[2.2.1.0<2,6>]heptane, AKOS024319560, tricyclo[2, 2, 1, 02,6] heptane, DB-015415, (1R,2S,4S,6r)-Tricyclo[2.2.1.0~2,6~]heptane |
|---|---|
| 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 | C1C2CC3C1C3C2 |
| Deep Smiles | CCCCC5C3C6 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1C2CC3C1C3C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricyclo[2.2.1.02,6]heptane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10 |
| Scaffold Graph Node Bond Level | C1C2CC3C1C3C2 |
| Inchi Key | BYBGSCXPMGPLFP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | tricyclo [2.2.1.0 (2,6)] heptane |
| Esol Class | Very soluble |
| Compound Name | Tricyclo(2.2.1.02,6)heptane |
| Exact Mass | 94.0783 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 94.0783 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 94.15 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H10/c1-4-2-6-5(1)7(6)3-4/h4-7H,1-3H2 |
| Smiles | C1C2CC3C1C3C2 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331