(-)-Isopiperitenone
PubChem CID: 439733
Connections displayed (default: 10).
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| Compound Synonyms | (-)-Isopiperitenone, 80995-97-7, (6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one, (6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one, (R)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-enone, (-)-Isoperitenone, (-)-(4R)-Isopiperitenone, (6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-one, (6R)-isopiperitenone, (-)-(4R)-Isopiperitenone, SCHEMBL707425, CHEBI:15408, DTXSID501001686, (4R)-p-mentha-1,8-dien-3-one, LMPR0102090009, C02485, (r)-3-methyl-6-isopropenyl-2-cyclohexen-1-one, Q27089423, (6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one, IT9 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SEZLYIWMVRUIKT-SECBINFHSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.022 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.505 |
| Compound Name | (-)-Isopiperitenone |
| 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 | -2.1417702 |
| Inchi | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1 |
| Smiles | CC1=CC(=O)[C@H](CC1)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients