Summary

IMPPAT Phytochemical identifier: IMPHY016566

Phytochemical name: cis-2,6-Dimethyl-1-methylenecyclohexane

Synonymous chemical names:
cis-1,3-dimethyl-2-methylenecyclohexane

External chemical identifiers:
CID:21122289, ZINC:ZINC000002528252, SureChEMBL:SCHEMBL1362738

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Chemical structure information

SMILES:
C=C1[C@H](C)CCC[C@@H]1C

InChI:
InChI=1S/C9H16/c1-7-5-4-6-8(2)9(7)3/h7-8H,3-6H2,1-2H3/t7-,8+

InChIKey:
UTQSTOKTRPNZHE-OCAPTIKFSA-N

DeepSMILES:
C=C[C@H]C)CCC[C@@H]6C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.494

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Chemical structure download