Tetracosamethyl-cyclododecasiloxane
PubChem CID: 167767
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| Compound Synonyms | tetracosamethylcyclododecasiloxane, 18919-94-3, Tetracosamethyl-cyclododecasiloxane, Cyclododecasiloxane, tetracosamethyl-, 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24-tetracosamethyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane, Cyclododecasiloxane, tetracosamethyl, 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24-Tetracosamethylcyclododecasiloxane, SCHEMBL6832751, DTXSID40940431, SOGKSNZFDBFKCV-UHFFFAOYSA-N, Tetracosamethyl-cyclo-dodecasiloxane |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 111.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCCCCCCCCCCCCCCCC1 |
| Deep Smiles | C[Si]C)O[Si]C)C)O[Si]C)C)O[Si]C)C)O[Si]C)C)O[Si]C)C)O[Si]O[Si]O[Si]O[Si]O[Si]O[Si]O%24)C)C)))C)C)))C)C)))C)C)))C)C)))C)C |
| Heavy Atom Count | 48.0 |
| Classyfire Class | Organometalloid compounds |
| Scaffold Graph Node Level | O1[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]1 |
| Classyfire Subclass | Organosilicon compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 725.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24-tetracosamethyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane |
| Veber Rule | True |
| Classyfire Superclass | Organometallic compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H72O12Si12 |
| Scaffold Graph Node Bond Level | O1[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]1 |
| Inchi Key | SOGKSNZFDBFKCV-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | etracosamethyl cyclododeca siloxan |
| Esol Class | Insoluble |
| Functional Groups | C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 |
| Compound Name | Tetracosamethyl-cyclododecasiloxane |
| Exact Mass | 888.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 888.225 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 889.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C24H72O12Si12/c1-37(2)25-38(3,4)27-40(7,8)29-42(11,12)31-44(15,16)33-46(19,20)35-48(23,24)36-47(21,22)34-45(17,18)32-43(13,14)30-41(9,10)28-39(5,6)26-37/h1-24H3 |
| Smiles | C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331