Bicyclo[2.2.1]heptan-2-one, 1-ethenyl-7,7-dimethyl-
PubChem CID: 577600
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| Compound Synonyms | 10-methylenecamphor, SCHEMBL1128206, UEVFTEJYOXJPNL-UHFFFAOYSA-N, 7,7-Dimethyl-1-vinylbicyclo[2.2.1]heptan-2-one #, Bicyclo[2.2.1]heptan-2-one, 1-ethenyl-7,7-dimethyl- |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethenyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C11H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UEVFTEJYOXJPNL-UHFFFAOYSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -2.617 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.391 |
| Compound Name | Bicyclo[2.2.1]heptan-2-one, 1-ethenyl-7,7-dimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 164.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3484376000000005 |
| Inchi | InChI=1S/C11H16O/c1-4-11-6-5-8(7-9(11)12)10(11,2)3/h4,8H,1,5-7H2,2-3H3 |
| Smiles | CC1(C2CCC1(C(=O)C2)C=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients