2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enal
PubChem CID: 92467550
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKLHKDRZYVWVQX-JTQLQIEISA-N |
| Fcsp3 | 0.5 |
| Logs | -2.748 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.075 |
| Compound Name | 2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8930702 |
| Inchi | InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,2,4-6H2,1H3/t10-/m0/s1 |
| Smiles | CC1=CC[C@@H](CC1)C(=C)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acer Triflorum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dalea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Drimia Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Prunus Cerasoides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Zaluzianskya Capensis (Plant) Rel Props:Source_db:cmaup_ingredients