Cyclopentane, 1,2-dimethyl-3-methylene-, trans-
PubChem CID: 91700516
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| Compound Synonyms | 1,2-Dimethyl-3-methylenecyclopentane #, SITNPFCTAOJHRR-HTQZYQBOSA-N, Cyclopentane, 1,2-dimethyl-3-methylene-, trans- |
|---|---|
| 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 | CC1CCCC1 |
| Deep Smiles | C[C@@H]CCC=C)[C@H]5C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | CC1CCCC1 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2S)-1,2-dimethyl-3-methylidenecyclopentane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14 |
| Scaffold Graph Node Bond Level | C=C1CCCC1 |
| Inchi Key | SITNPFCTAOJHRR-HTQZYQBOSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclopentane,1,2-dimethyl-3-methylene,trans |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C |
| Compound Name | Cyclopentane, 1,2-dimethyl-3-methylene-, trans- |
| Exact Mass | 110.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 110.2 |
| 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/C8H14/c1-6-4-5-7(2)8(6)3/h7-8H,1,4-5H2,2-3H3/t7-,8-/m1/s1 |
| Smiles | C[C@@H]1CCC(=C)[C@H]1C |
| 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 Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840