(1R,2R)-1-ethenyl-2-[(E)-hex-1-enyl]cyclopropane
PubChem CID: 10898871
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2R)-1-ethenyl-2-[(E)-hex-1-enyl]cyclopropane |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C11H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZAYYMIBUZEMAI-IJUHFESZSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -4.844 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.281 |
| Compound Name | (1R,2R)-1-ethenyl-2-[(E)-hex-1-enyl]cyclopropane |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0183429999999993 |
| Inchi | InChI=1S/C11H18/c1-3-5-6-7-8-11-9-10(11)4-2/h4,7-8,10-11H,2-3,5-6,9H2,1H3/b8-7+/t10-,11-/m0/s1 |
| Smiles | CCCC/C=C/[C@H]1C[C@@H]1C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients