Cycloheptane, 1,3,5-tris(methylene)-
PubChem CID: 562636
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| Compound Synonyms | Cycloheptane, 1,3,5-tris(methylene)-, 1,3,6-trimethylenecyclo-heptane, AUMDFGPXLFGYPZ-UHFFFAOYSA-N, 1,3,5-Trimethylenecycloheptane # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 164.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5-trimethylidenecycloheptane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | False |
| Molecular Formula | C10H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AUMDFGPXLFGYPZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Cycloheptane, 1,3,5-tris(methylene)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1715763999999997 |
| Inchi | InChI=1S/C10H14/c1-8-4-5-9(2)7-10(3)6-8/h1-7H2 |
| Smiles | C=C1CCC(=C)CC(=C)C1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients