Octadecamethylcyclononasiloxane
PubChem CID: 11172
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| Compound Synonyms | OCTADECAMETHYLCYCLONONASILOXANE, 556-71-8, Cyclononasiloxane, octadecamethyl-, UNII-28W8JYZ0C6, Octadeamethyl-cyclononasiloxane, 28W8JYZ0C6, CYCLOMETHICONE 9, Octadecamethylnonasiloxane, octadecamethyl-cyclononasiloxane, 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-1,3,5,7,9,11,13,15,17-nonaoxa-2,4,6,8,10,12,14,16,18-nonasilacyclooctadecane, DTXSID5060308, OCTAMETHYLCYCLONONASILOXANE, CYCLONONASILOXANE, 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-OCTADECAMETHYL-, Octadecamethylcyclononasiloxane, 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-Octadecamethyl-Cyclononasiloxane, MFCD30533789, Ctadecamethylcyclononasiloxane, SCHEMBL9009704, DTXCID2041919, CYCLONONASILOXANE, OCTADECAMETHYL, FO166641, NS00122350, O0425, T72613, Q27254355, 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-Octadecamethylcyclononasiloxane #, 834-175-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCCCCCCCCCC1 |
| Deep Smiles | C[Si]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%18)C)C)))C)C)))C)C)))C)C |
| Heavy Atom Count | 36.0 |
| 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]1 |
| Classyfire Subclass | Organosilicon compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;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-octadecamethyl-1,3,5,7,9,11,13,15,17-nonaoxa-2,4,6,8,10,12,14,16,18-nonasilacyclooctadecane |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Organometallic compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H54O9Si9 |
| Scaffold Graph Node Bond Level | O1[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISXOGOLHEGHGQF-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -8.547 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.929 |
| Synonyms | cyclonona siloxane, octadeca methyl, octadeca methyl cyclononasiloxane |
| Esol Class | Poorly soluble |
| 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)O1 |
| Compound Name | Octadecamethylcyclononasiloxane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 666.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 666.169 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 667.4 |
| 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/C18H54O9Si9/c1-28(2)19-29(3,4)21-31(7,8)23-33(11,12)25-35(15,16)27-36(17,18)26-34(13,14)24-32(9,10)22-30(5,6)20-28/h1-18H3 |
| Smiles | C[Si]1(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 |
| Nring | 1.0 |
| 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 Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331 - 3. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331