Summary

IMPPAT Phytochemical identifier: IMPHY002801

Phytochemical name: 2,5-Diisopropyl-p-xylene

Synonymous chemical names:
1,4-dimethyl-2,5-diisopropylbenzene

External chemical identifiers:
CID:25211, ZINC:ZINC000001736680, SureChEMBL:SCHEMBL8674907

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Chemical structure information

SMILES:
CC(c1cc(C)c(cc1C)C(C)C)C

InChI:
InChI=1S/C14H22/c1-9(2)13-7-12(6)14(10(3)4)8-11(13)5/h7-10H,1-6H3

InChIKey:
MBEBPYJMHLBHDJ-UHFFFAOYSA-N

DeepSMILES:
CCcccC)ccc6C)))CC)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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: -0.219

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Chemical structure download