6-Ethenyl-2,2-dimethyl-8-(3-methylbut-2-enyl)chromene
PubChem CID: 10149232
Connections displayed (default: 10).
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| Topological Polar Surface Area | 9.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethenyl-2,2-dimethyl-8-(3-methylbut-2-enyl)chromene |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C18H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXCATFWRZYSQPS-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -6.151 |
| Rotatable Bond Count | 3.0 |
| Logd | 5.104 |
| Compound Name | 6-Ethenyl-2,2-dimethyl-8-(3-methylbut-2-enyl)chromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 254.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.949296810526315 |
| Inchi | InChI=1S/C18H22O/c1-6-14-11-15(8-7-13(2)3)17-16(12-14)9-10-18(4,5)19-17/h6-7,9-12H,1,8H2,2-5H3 |
| Smiles | CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients