3,6,9,12,15,18-Hexaoxatriacontan-1-ol
PubChem CID: 18282
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| Compound Synonyms | Hexaethylene glycol monododecyl ether, 3055-96-7, 3,6,9,12,15,18-Hexaoxatriacontan-1-ol, Hexaoxyethylene dodecyl ether, Lauryl hexaethoxylate, Hexaethylene glycol dodecyl ether, Dodecyl hexaethylene glycol, Hexaethylene glycol lauryl ether, Hexaoxyethylene dodecyl monoether, Hexa(oxydiethanol) monodecyl ether, EINECS 221-282-3, UNII-J2N33740SH, DODECYL HEXAOXYETHYLENE MONOETHER, BRN 1715367, 2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol, C12E6, MFCD00042660, DTXSID6058633, Hexaethylene glycol n-dodecyl ether, 4-01-00-02407 (Beilstein Handbook Reference), Laureth-6, Hexaethylene glycol mono-n-dodecyl ether, Dodecylhexaglycol, PEG-6 Lauryl ether, HEXAETHYLENEGLYCOLMONODODECYLETHER, SCHEMBL61970, CHEMBL4758406, DTXCID4032320, Hexaeehylene glycol dodecyl ether, J2N33740SH, n-dodecyl hexaoxyethylene glycol ether, HY-W250198, SY052176, 3,6,9,12,15,18-Hexaoxa-1-triacontanol, CS-0310511, H0444, NS00013819, Hexaethylene glycol monododecyl ether, semisolid, T72265, Hexaethylene glycol monododecyl ether, BioXtra, >=98.0% (TLC) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 75.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Monoacylglycerols |
| Deep Smiles | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H50O7 |
| Inchi Key | OJCFEGKCRWEVSN-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | hexaethylene glycol monododecyl ether |
| Esol Class | Soluble |
| Functional Groups | CO, COC |
| Compound Name | 3,6,9,12,15,18-Hexaoxatriacontan-1-ol |
| Exact Mass | 450.356 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 450.356 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 450.6 |
| 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/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3 |
| Smiles | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO |
| 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