Summary

IMPPAT Phytochemical identifier: IMPHY017193

Phytochemical name: Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-

Synonymous chemical names:
1,2-dimethyl-3-(1-methylethenyl) cyclopentanol

External chemical identifiers:
CID:20046, SureChEMBL:SCHEMBL296212

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Chemical structure information

SMILES:
CC(=C)C1CCC(C1C)(C)O

InChI:
InChI=1S/C10H18O/c1-7(2)9-5-6-10(4,11)8(9)3/h8-9,11H,1,5-6H2,2-4H3

InChIKey:
ZRVPDCMGGOSDKG-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCC5C))C)O

Functional groups:
C=C(C)C, 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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids (Ψ-)

NP-Likeness score: 2.725

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Chemical structure download