2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID: 22155067
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL2370360 |
|---|---|
| Topological Polar Surface Area | 1.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane, hydrate |
| Prediction Hob | 1.0 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIPMFUYUYFTHPO-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.713 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.701 |
| Compound Name | 2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptane, hydrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1588685999999995 |
| Inchi | InChI=1S/C10H16.H2O/c1-7-8-4-5-9(6-8)10(7,2)3, /h8-9H,1,4-6H2,2-3H3, 1H2 |
| Smiles | CC1(C2CCC(C2)C1=C)C.O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients