(5S)-2-Methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene
PubChem CID: 57351001
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| Compound Synonyms | (5S)-2-Methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene, 563-34-8, DTXSID30722248 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQAZVFVOEIRWHN-AXDSSHIGSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.916 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.372 |
| Compound Name | (5S)-2-Methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene |
| 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 | -2.4141756 |
| Inchi | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9?,10-/m0/s1 |
| Smiles | CC1=CC[C@@]2(C1C2)C(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients