1-Methoxycyclohexene
PubChem CID: 70264
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| Compound Synonyms | 1-Methoxycyclohexene, 931-57-7, Cyclohexene, 1-methoxy-, 1-methoxycyclohex-1-ene, 1-Methoxy-1-cyclohexene, Ether, 1-cyclohexen-1-yl methyl, Cyclohexanone methyl enol ether, 1-methoxy-cyclohexene, 1-Cyclohexen-1-yl methyl ether, 2,3,4,5-Tetrahydroanisole, DTXSID70239269, MFCD00060822, SCHEMBL46404, Discontinued See M262395, DTXCID40161760, CHEBI:230282, AKOS006272959, DB-023685, NS00122132, EN300-93083, D87534 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COC=CCCCC6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring compound [Flavornet] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.6 |
| Database Name | fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxycyclohexene |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H12O |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | HZFQGYWRFABYSR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-methoxycyclohexene |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)OC |
| Compound Name | 1-Methoxycyclohexene |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3 |
| Smiles | COC1=CCCCC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all