Cyclopentane, 1,2,4-trimethyl-, trans,cis-
PubChem CID: 6429398
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| Compound Synonyms | Cyclopentane, 1,2,4-trimethyl-, trans,cis-, (1S,2S)-1,2,4-trimethylcyclopentane, Cis,trans,cis-1,2,4-trimethylcyclopentane, 16883-48-0, 1-trans-2-cis-4-trimethylcyclopentane, Cyclopentane, 1,2,4-trimethyl-, (1.alpha.,2.beta.,4.alpha.)-, 1-trans-2,cis-4-Trimethylcyclopentane, 1-trans-2-trans-4-Trimethylcyclopentane, 1.alpha.,2.beta.,4.alpha.-Trimethylcyclopentane, AKOS006274635, r-1, t-2, c-4-trimethylcyclo-pentane, NS00086025, Cyclopentane, 1,2,4-trimethyl-, (1alpha,2beta,4alpha)-, Cyclopentane, 1,2,4-trimethyl-, trans,cis- (8CI), (1alpha,2beta,4alpha)-1,2,4-Trimethylcyclopentane, 1-trans-2-cis-4-Trimethylcyclopentane, Cyclopentane, 1,2,4-trimethyl-, trans-1,2,cis-1,4-, trans,cis-1,2,4-Trimethylcyclopentane |
|---|---|
| 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 | C1CCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCC[C@@H][C@H]C5)C))C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,2S)-1,2,4-trimethylcyclopentane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | PNUFYSGVPVMNRN-YUMQZZPRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1alpha,2β,4alpha-trimethylcyclopentane |
| Esol Class | Soluble |
| Compound Name | Cyclopentane, 1,2,4-trimethyl-, trans,cis- |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| 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/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1 |
| Smiles | C[C@H]1CC(C[C@@H]1C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975