Cycloheptane, 1-ethenyl-1-methyl-4-methylene-2-(2-methyl-1-propenyl)-
PubChem CID: 572161
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| Compound Synonyms | 826337-63-7, Cycloheptane, 1-ethenyl-1-methyl-4-methylene-2-(2-methyl-1-propenyl)-, Cycloheptane, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl)-1-vinyl-, DTXSID60341305, UWEJZLPARNBCBM-UHFFFAOYSA-N, 1-Methyl-4-methylene-2-(2-methyl-1-propenyl)-1-vinylcycloheptane #, 4-methylene-1-methyl-2-(2-methyl-1-propen-1-yl)-1-vinylcycloheptane |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethenyl-1-methyl-4-methylidene-2-(2-methylprop-1-enyl)cycloheptane |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWEJZLPARNBCBM-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.987 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.442 |
| Compound Name | Cycloheptane, 1-ethenyl-1-methyl-4-methylene-2-(2-methyl-1-propenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2951134 |
| Inchi | InChI=1S/C15H24/c1-6-15(5)9-7-8-13(4)11-14(15)10-12(2)3/h6,10,14H,1,4,7-9,11H2,2-3,5H3 |
| Smiles | CC(=CC1CC(=C)CCCC1(C)C=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients