Heptaethylene glycol monododecyl ether
PubChem CID: 76459
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| Compound Synonyms | Dodecylheptaglycol, 3055-97-8, Heptaethylene glycol monododecyl ether, 3,6,9,12,15,18,21-Heptaoxatritriacontan-1-ol, Laureth-7, C12E7, MFCD00043065, 2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, EINECS 221-283-9, PEG-7 Lauryl ether, Lauryl alcohol hexa(oxyethylene) ethanol, HEPTAETHYLENEGLYCOLMONODODECYLETHER, SCHEMBL60375, DTXSID8062816, C12H25(OC2H4)7OH, AKOS025311016, FD40341, HY-W140896, Heptaethylene glycol mono-n-dodecyl ether, AS-78358, DA-69887, SY053059, CS-0199396, H0445, NS00013820, E78070, Heptaethylene glycol monododecyl ether, BioXtra, >=98.0% (TLC) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 84.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Monoacylglycerols |
| Deep Smiles | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H54O8 |
| Inchi Key | DWHIUNMOTRUVPG-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 31.0 |
| Synonyms | heptaethylene glycol monododecyl ether |
| Esol Class | Soluble |
| Functional Groups | CO, COC |
| Compound Name | Heptaethylene glycol monododecyl ether |
| Exact Mass | 494.382 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 494.382 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 494.7 |
| 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/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3 |
| Smiles | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| 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