Summary

IMPPAT Phytochemical identifier: IMPHY015591

Phytochemical name: Octadecamethylcyclononasiloxane

Synonymous chemical names:
cyclonona siloxane, octadeca methyl, octadeca methyl cyclononasiloxane

External chemical identifiers:
CID:11172, FDASRS:28W8JYZ0C6, SureChEMBL:SCHEMBL9009704

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Chemical structure information

SMILES:
C[Si]1(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](O1)(C)C)(C)C)(C)C)(C)C

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

InChIKey:
ISXOGOLHEGHGQF-UHFFFAOYSA-N

DeepSMILES:
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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O1[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]1

Scaffold Graph/Node level:
O1[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]1

Scaffold Graph level:
C1CCCCCCCCCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organometallic compounds

ClassyFire Class: Organometalloid compounds

ClassyFire Subclass: Organosilicon compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP-Likeness score: 0.011

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Chemical structure download