1-Acetyl-4-isopropylidene-cyclopentene
PubChem CID: 240188
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| Compound Synonyms | 1-Acetyl-4-isopropylidene-cyclopentene, 55873-39-7, DTXSID80286507, 1-(4-propan-2-ylidenecyclopenten-1-yl)ethanone, NSC46245, SCHEMBL6114233, DTXCID40237656, NSC-46245 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 240.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-propan-2-ylidenecyclopenten-1-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CGJITSGJZMOQEU-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.255 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.01 |
| Compound Name | 1-Acetyl-4-isopropylidene-cyclopentene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9905701999999998 |
| Inchi | InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5H,4,6H2,1-3H3 |
| Smiles | CC(=C1CC=C(C1)C(=O)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients