Summary

IMPPAT Phytochemical identifier: IMPHY005381

Phytochemical name: Cyclohexane, 1-methoxy-4-(1-methylethyl)-

Synonymous chemical names:
1-methoxy-4-isopropyl-cyclohexane

External chemical identifiers:
CID:23594959, SureChEMBL:SCHEMBL254942

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Chemical structure information

SMILES:
COC1CCC(CC1)C(C)C

InChI:
InChI=1S/C10H20O/c1-8(2)9-4-6-10(11-3)7-5-9/h8-10H,4-7H2,1-3H3

InChIKey:
VYOMKQBPPSPKOD-UHFFFAOYSA-N

DeepSMILES:
COCCCCCC6))CC)C

Functional groups:
COC

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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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.509

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Chemical structure download