Summary

IMPPAT Phytochemical identifier: IMPHY017810

Phytochemical name: Bicyclo[3.1.1]heptan-3-ol

Synonymous chemical names:
bicyclo[3,1,1]heptan-3-ol

External chemical identifiers:
CID:91419167

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Chemical structure information

SMILES:
OC1CC2CC(C1)C2

InChI:
InChI=1S/C7H12O/c8-7-3-5-1-6(2-5)4-7/h5-8H,1-4H2

InChIKey:
VZWBSRFJKRCQLM-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6)C4

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Alkaloids

NP-Likeness score: 0.908

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Chemical structure download