Summary

IMPPAT Phytochemical identifier: IMPHY015350

Phytochemical name: 3-Methylcyclopentanol

Synonymous chemical names:
3-methyl-cyclopentanol

External chemical identifiers:
CID:86785, SureChEMBL:SCHEMBL181737, MolPort-001-793-095

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Chemical structure information

SMILES:
CC1CCC(C1)O

InChI:
InChI=1S/C6H12O/c1-5-2-3-6(7)4-5/h5-7H,2-4H2,1H3

InChIKey:
VEALHWXMCIRWGC-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 1.886

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Chemical structure download