Disulfide, di-tert-dodecyl
PubChem CID: 117981
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| Compound Synonyms | Di-tert-dodecyl disulfide, 27458-90-8, Disulfide, di-tert-dodecyl, Di-tert-dodecyl disulphide, 2-methyl-2-(2-methylundecan-2-yldisulfanyl)undecane, 2-methyl-2-[(2-methylundecan-2-yl)disulfanyl]undecane, tert-Dodecyl Disulfide, ditertiarydodecyldisulfide, EINECS 248-468-7, bis(2-methylundecan-2-yl) disulfide, 1,2-Bis(2-methylundecan-2-yl)disulfane, 440659-94-9, DTXSID8067313, MFCD00059944, di-t-dodecyl disulfide, Ditertiarydodecyldisulphide, SCHEMBL728106, DTXCID2037681, CHEBI:84283, Bis(2-methylundecan-2-yl) disulphide, D0447, NS00021097, D89655, A819904, Q27157647, 2-Methyl-2-[(2-methylundecan-2-yl)disulphanyl]undecane, 248-468-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCSSCCCCCCCCCC)))))))))C)C))))C)C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Organic disulfides |
| Classyfire Subclass | Dialkyldisulfides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-2-(2-methylundecan-2-yldisulfanyl)undecane |
| Class | Organic disulfides |
| Veber Rule | False |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 11.1 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkyldisulfides |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H50S2 |
| Inchi Key | LEDIWWJKWAMGLD-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | 2-Methyl-2-[(2-methylundecan-2-yl)disulfanyl]undecane, Di-tert-dodecyl disulfide, Ditertiarydodecyldisulfide, 2-Methyl-2-[(2-methylundecan-2-yl)disulphanyl]undecane, Di-tert-dodecyl disulphide, Ditertiarydodecyldisulphide, Bis(2-methylundecan-2-yl) disulphide, di-tert-dodecyl disulfide |
| Esol Class | Poorly soluble |
| Functional Groups | CSSC |
| Compound Name | Disulfide, di-tert-dodecyl |
| Kingdom | Organic compounds |
| Exact Mass | 402.335 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.335 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 402.8 |
| Gi Absorption | False |
| 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/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3 |
| Smiles | CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Dialkyldisulfides |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965