1,1-Dimethylcyclopentane
PubChem CID: 15421
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| Compound Synonyms | 1,1-DIMETHYLCYCLOPENTANE, 1638-26-2, gem-Dimethylcyclopentane, Cyclopentane, 1,1-dimethyl-, NSC 74145, HEN90T1I69, EINECS 216-673-0, NSC-74145, 1,1-dimethyl-cyclopentane, UNII-HEN90T1I69, 1,1-DIMETHYLCYCOPENTANE, DTXSID00167662, NSC74145, gemDimethylcyclopentane, Cyclopentane,1-dimethyl-, 11,1 -Dimethylcyclopentane, ghl.PD_Mitscher_leg0.791, DTXCID7090153, Cyclopentane, 1,1dimethyl (8CI), Cyclopentane, 1,1-dimethyl-(8CI), AKOS006272659, Cyclopentane, 1,1dimethyl (8CI)(9CI), Cyclopentane, 1,1-dimethyl-(8CI)(9CI), NS00025348, EN300-7577228, 216-673-0, Cyclopentane, 1,1-dimethyl-, 1,1-Dimethylcyclopentane, 1,1-Dimethylcycopentane, NSC 74145, gem-Dimethylcyclopentane |
|---|---|
| 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)CCCC5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethylcyclopentane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | QWHNJUXXYKPLQM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,1-dimethylcyclopentane |
| Esol Class | Soluble |
| Compound Name | 1,1-Dimethylcyclopentane |
| Exact Mass | 98.1096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.1096 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 98.19 |
| 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/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3 |
| Smiles | CC1(CCCC1)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 Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1010605