Summary

IMPPAT Phytochemical identifier: IMPHY012610

Phytochemical name: 2-Cyclobutyl-2-propanol

Synonymous chemical names:
2-cyclobutyl-2-propanol

External chemical identifiers:
CID:547749, ZINC:ZINC000002564190, SureChEMBL:SCHEMBL3145985

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Chemical structure information

SMILES:
CC(C1CCC1)(O)C

InChI:
InChI=1S/C7H14O/c1-7(2,8)6-4-3-5-6/h6,8H,3-5H2,1-2H3

InChIKey:
XVOCZBPSPXMFPW-UHFFFAOYSA-N

DeepSMILES:
CCCCCC4))))O)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC1

Scaffold Graph/Node level:
C1CCC1

Scaffold Graph level:
C1CCC1

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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: 1.442

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Chemical structure download