1,1,3-Trimethylcyclopentane
PubChem CID: 20615
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| Compound Synonyms | 1,1,3-TRIMETHYLCYCLOPENTANE, 4516-69-2, Cyclopentane, 1,1,3-trimethyl-, Cyclopentane,1,1,3-trimethyl-, NSC 73945, DTXSID30871083, NSC73945, 1,3-Trimethylcyclopentane, Cyclopentane,1,3-trimethyl-, Cyclopentane, 1,1,3trimethyl, DTXCID30818756, CHEBI:229259, NSC-73945, AKOS006271783, (A+/-)-1,1,3-trimethyl-cyclopentane, Cyclopentane, 1,1,3-trimethyl-(8CI), Cyclopentane, 1,1,3-trimethyl-(8CI)(9CI) |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,3-trimethylcyclopentane |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C8H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBKHYUIZSOIEPG-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.18 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.966 |
| Compound Name | 1,1,3-Trimethylcyclopentane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8100391999999994 |
| Inchi | InChI=1S/C8H16/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3 |
| Smiles | CC1CCC(C1)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients