1,3-Cyclopentadiene, 5,5-dimethyl-2-propyl-
PubChem CID: 572123
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| Compound Synonyms | 1,3-Cyclopentadiene, 5,5-dimethyl-2-propyl-, DKACPYQJUACLSX-UHFFFAOYSA-N, 5,5-Dimethyl-2-propyl-1,3-cyclopentadiene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,5-dimethyl-2-propylcyclopenta-1,3-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DKACPYQJUACLSX-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.101 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.875 |
| Compound Name | 1,3-Cyclopentadiene, 5,5-dimethyl-2-propyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8458756 |
| Inchi | InChI=1S/C10H16/c1-4-5-9-6-7-10(2,3)8-9/h6-8H,4-5H2,1-3H3 |
| Smiles | CCCC1=CC(C=C1)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syringa Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients