2-Methyl-3-(1-methylethenyl)bicyclo[2.2.1]heptane
PubChem CID: 556697
Connections displayed (default: 10).
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| Compound Synonyms | 62337-89-7, 2-Methyl-3-(1-methylethenyl)bicyclo[2.2.1]heptane, Bicyclo[2.2.1]heptane, 2-methyl-3-(1-methylethenyl)-, IRPRKIQMQZXQAK-UHFFFAOYSA-N, DB-303474, 2-Isopropenyl-3-methylbicyclo[2.2.1]heptane # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C11H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IRPRKIQMQZXQAK-UHFFFAOYSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -3.896 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.464 |
| Compound Name | 2-Methyl-3-(1-methylethenyl)bicyclo[2.2.1]heptane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.370543 |
| Inchi | InChI=1S/C11H18/c1-7(2)11-8(3)9-4-5-10(11)6-9/h8-11H,1,4-6H2,2-3H3 |
| Smiles | CC1C2CCC(C2)C1C(=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