(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane
PubChem CID: 11275098
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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 | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C11H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IUJUNEVKAIOLIM-LHBSJXCKSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.941 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.604 |
| Compound Name | (1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 148.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.7946437999999993 |
| Inchi | InChI=1S/C11H16/c1-3-5-6-7-8-11-9-10(11)4-2/h4-8,10-11H,2-3,9H2,1H3/b6-5-,8-7+/t10-,11-/m0/s1 |
| Smiles | CC/C=C\C=C\[C@H]1C[C@@H]1C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Delonix Regia (Plant) Rel Props:Source_db:cmaup_ingredients