Summary

IMPPAT Phytochemical identifier: IMPHY017363

Phytochemical name: Cyclohexanol, 1-(1-hexenyl)-, (E)-

Synonymous chemical names:
1-[(e)-1-hexenyl]-cyclohexanol

External chemical identifiers:
CID:5352482, SureChEMBL:SCHEMBL11786177

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Chemical structure information

SMILES:
CCCC/C=C/C1(O)CCCCC1

InChI:
InChI=1S/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h6,9,13H,2-5,7-8,10-11H2,1H3/b9-6+

InChIKey:
ICOITBGCXKPDQU-RMKNXTFCSA-N

DeepSMILES:
CCCC/C=C/CO)CCCCC6

Functional groups:
C/C=C/C, CO

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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: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.602

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Chemical structure download