1,2,5,5-Tetramethyl-1,3-cyclopentadiene
PubChem CID: 572142
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| Compound Synonyms | 1,2,5,5-Tetramethyl-1,3-cyclopentadiene, FZQSOBIGZJECPN-UHFFFAOYSA-N, 1,2,5,5-Tetramethyl-1,3-cyclopentadiene #, 1,3-Cyclopentadiene, 1,2,5,5-tetramethyl- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,5,5-tetramethylcyclopenta-1,3-diene |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C9H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZQSOBIGZJECPN-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -2.989 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.2 |
| Compound Name | 1,2,5,5-Tetramethyl-1,3-cyclopentadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 122.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 122.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2231082 |
| Inchi | InChI=1S/C9H14/c1-7-5-6-9(3,4)8(7)2/h5-6H,1-4H3 |
| Smiles | CC1=C(C(C=C1)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Oldenlandia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients