1,2,5,8-Tetraoxecane
PubChem CID: 19087899
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| Compound Synonyms | SCHEMBL9176230 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 36.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCC1 |
| Deep Smiles | CCOCCOOCCO%10 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organic oxides |
| Scaffold Graph Node Level | C1COCCOOCCO1 |
| Classyfire Subclass | Organic peroxides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,5,8-tetraoxecane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O4 |
| Scaffold Graph Node Bond Level | C1COCCOOCCO1 |
| Inchi Key | AVJYNJQKPDKJBG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,4,7,10-tetraoxa-cyclodecane, 1,4,7,10-tetraoxacyclodecane |
| Esol Class | Very soluble |
| Functional Groups | COC, COOC |
| Compound Name | 1,2,5,8-Tetraoxecane |
| Exact Mass | 148.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 148.16 |
| 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/C6H12O4/c1-2-8-4-6-10-9-5-3-7-1/h1-6H2 |
| Smiles | C1COCCOOCCO1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699197 - 2. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1377