1,4-Dimethylbicyclo[2.1.0]pentane
PubChem CID: 557086
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| Compound Synonyms | 1,4-Dimethylbicyclo[2.1.0]pentane, Bicyclo[2.1.0]pentane, 1,4-dimethyl-, DTXSID20339581, GPBOEIMNJNTXIT-UHFFFAOYSA-N, 1,4-Dimethylbicyclo[2.1.0]pentane #, 17065-18-8 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethylbicyclo[2.1.0]pentane |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C7H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPBOEIMNJNTXIT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.719 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.066 |
| Compound Name | 1,4-Dimethylbicyclo[2.1.0]pentane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 96.0939 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0939 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 96.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1372726 |
| Inchi | InChI=1S/C7H12/c1-6-3-4-7(6,2)5-6/h3-5H2,1-2H3 |
| Smiles | CC12CCC1(C2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients