Cyclobutane, 1,2-bis(1-methylethenyl)-, trans-
PubChem CID: 54280161
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| Compound Synonyms | 1,2-Diisopropenylcyclobutane #, RQGIFUXHHWOXNT-UWVGGRQHSA-N, Cyclobutane, 1,2-bis(1-methylethenyl)-, trans- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2R)-1,2-bis(prop-1-en-2-yl)cyclobutane |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RQGIFUXHHWOXNT-UWVGGRQHSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.861 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.573 |
| Compound Name | Cyclobutane, 1,2-bis(1-methylethenyl)-, trans- |
| 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 | -3.1545756 |
| Inchi | InChI=1S/C10H16/c1-7(2)9-5-6-10(9)8(3)4/h9-10H,1,3,5-6H2,2,4H3/t9-,10-/m0/s1 |
| Smiles | CC(=C)[C@@H]1CC[C@H]1C(=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 Teucrium Bidentatum (Plant) Rel Props:Source_db:cmaup_ingredients