1,5-Dimethyl-7-oxabicyclo[4.1.0]heptane
PubChem CID: 537752
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| Compound Synonyms | 1,5-Dimethyl-7-oxabicyclo[4.1.0]heptane, 162239-52-3, 7-Oxabicyclo[4.1.0]heptane, 1,5-dimethyl-, 7-Oxabicyclo[4.1.0]heptane, 1,5-dimethyl-, SCHEMBL5675298, DTXSID40873255, JECOGJBQQYXLLN-UHFFFAOYSA-N, 1,5-Dimethyl-7-oxabicyclo[4.1.0]heptane # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC2C1 |
| Deep Smiles | CCCCCCC6O3))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Oxepanes |
| Scaffold Graph Node Level | C1CCC2OC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethyl-7-oxabicyclo[4.1.0]heptane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14O |
| Scaffold Graph Node Bond Level | C1CCC2OC2C1 |
| Inchi Key | JECOGJBQQYXLLN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,5-dimethyl-7-oxabicyclo[4.1.0]heptane |
| Esol Class | Very soluble |
| Functional Groups | CC1OC1(C)C |
| Compound Name | 1,5-Dimethyl-7-oxabicyclo[4.1.0]heptane |
| Exact Mass | 126.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 126.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H14O/c1-6-4-3-5-8(2)7(6)9-8/h6-7H,3-5H2,1-2H3 |
| Smiles | CC1CCCC2(C1O2)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748