Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018238

Phytochemical name: (1,3,3-Trimethylnonyl)benzene

Synonymous chemical names:
(1,3,3-Trimethylnonyl)benzene

External chemical identifiers:
CID:CID_569261

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Chemical structure information

SMILES:
CCCCCCC(CC(c1ccccc1)C)(C)C

InChI:
InChI=1S/C18H30/c1-5-6-7-11-14-18(3,4)15-16(2)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3

InChIKey:
JWEYQPLHWRGNKL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCcccccc6))))))C)))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: 0.281

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Chemical structure download