Bicyclo[2.2.1]hept-2-ene, 2,7,7-trimethyl-
PubChem CID: 564720
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| Compound Synonyms | 514-14-7, Bicyclo[2.2.1]hept-2-ene, 2,7,7-trimethyl-, 2,7,7-Trimethyl-bicyclo[2.2.1]hept-2-ene, 2,7,7-Trimethylbicyclo[2.2.1]hept-2-ene, CHEBI:90016, DTXSID10340444, QWEFTWKQGYFNTF-UHFFFAOYSA-N, 2,7,7-trimethylbicyclo[2.2.1]-2-heptene, 2,2,7-trimethyl bicyclo(2.2.1) hept-2-ene, 2,7,7-Trimethylbicyclo[2.2.1]hept-2-ene #, Q24817463 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7,7-trimethylbicyclo[2.2.1]hept-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWEFTWKQGYFNTF-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.669 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.663 |
| Compound Name | Bicyclo[2.2.1]hept-2-ene, 2,7,7-trimethyl- |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5305756 |
| Inchi | InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h6,8-9H,4-5H2,1-3H3 |
| Smiles | CC1=CC2CCC1C2(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients