3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol
PubChem CID: 78798
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| Compound Synonyms | Octaethylene glycol, 5117-19-1, 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol, Octanethyl glycol, HO-PEG8-OH, 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, MFCD00698694, 12034-81-0, PE8, PED-diol (n=8), C16H34O9, Octaethyleneglycol, EINECS 225-856-4, Octa-ethylene glycol, 4gs9, PEG8, NONOXYNOL-9_met115, SCHEMBL45160, DTXSID3058618, CHEBI:44794, BCP33115, AKOS015839805, HY-W050087, SB67136, s10681, AS-19695, BP-21369, SY024582, DB-051916, CS-0031650, NS00010524, O0295, EN300-1590283, Q27120582 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monoacylglycerols |
| Deep Smiles | OCCOCCOCCOCCOCCOCCOCCOCCO |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.2 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H34O9 |
| Inchi Key | GLZWNFNQMJAZGY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-diol, octaethylene glycol |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC |
| Compound Name | 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol |
| Kingdom | Organic compounds |
| Exact Mass | 370.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.22 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 370.44 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2 |
| Smiles | C(COCCOCCOCCOCCOCCOCCOCCO)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Polyethylene glycols |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662616