Summary

IMPPAT Phytochemical identifier: IMPHY017682

Phytochemical name: Hexamethylbenzene

Synonymous chemical names:
benzene,hexamethyl

External chemical identifiers:
CID:6908, ChEMBL:CHEMBL16347, ChEBI:39001, ZINC:ZINC000001672878, FDASRS:J8SD5741V8, SureChEMBL:SCHEMBL114857, MolPort-001-779-965

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Chemical structure information

SMILES:
Cc1c(C)c(C)c(c(c1C)C)C

InChI:
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3

InChIKey:
YUWFEBAXEOLKSG-UHFFFAOYSA-N

DeepSMILES:
CccC)cC)ccc6C))C))C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP-Likeness score: -0.157

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Chemical structure download