1-Methoxy-4-(propan-2-yl)cyclohexane
PubChem CID: 23594959
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| Compound Synonyms | 112548-32-0, 1-Methoxy-4-(propan-2-yl)cyclohexane, SCHEMBL254942, SCHEMBL766787, SCHEMBL2608981, SCHEMBL11991703, SCHEMBL21238549, DTXSID40635118 |
|---|---|
| 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 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | COCCCCCC6))CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4-propan-2-ylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | VYOMKQBPPSPKOD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-methoxy-4-isopropyl-cyclohexane |
| Esol Class | Soluble |
| Functional Groups | COC |
| Compound Name | 1-Methoxy-4-(propan-2-yl)cyclohexane |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| 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/C10H20O/c1-8(2)9-4-6-10(11-3)7-5-9/h8-10H,4-7H2,1-3H3 |
| Smiles | CC(C)C1CCC(CC1)OC |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279