1,5-Di(methoxycarbonyloxy)pentane
PubChem CID: 91694454
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| Compound Synonyms | DIJNPPVDODLPKB-UHFFFAOYSA-N, 1,5-Di(methoxycarbonyloxy)pentane |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | COC=O)OCCCCCOC=O)OC |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organic carbonic acids and derivatives |
| Classyfire Subclass | Carbonic acid diesters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxycarbonyloxypentyl methyl carbonate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O6 |
| Inchi Key | DIJNPPVDODLPKB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 1,5-di(methoxycarbonyloxy)pentane |
| Esol Class | Very soluble |
| Functional Groups | COC(=O)OC |
| Compound Name | 1,5-Di(methoxycarbonyloxy)pentane |
| Exact Mass | 220.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 220.22 |
| 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/C9H16O6/c1-12-8(10)14-6-4-3-5-7-15-9(11)13-2/h3-7H2,1-2H3 |
| Smiles | COC(=O)OCCCCCOC(=O)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Cordia Sebestena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884758