1-[(4R)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
PubChem CID: 45085850
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(4R)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTXSVMBTNJSALB-SECBINFHSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.648 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.399 |
| Compound Name | 1-[(4R)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0883701999999995 |
| Inchi | InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3/t9-/m1/s1 |
| Smiles | CC(=C)[C@@H]1CC=C(C1)C(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients