Summary

IMPPAT Phytochemical identifier: IMPHY017474

Phytochemical name: Cycloheptanol, 1-methyl-2-methylene-

Synonymous chemical names:
cycloheptanol,1-methyl-2-methylene

External chemical identifiers:
CID:556537

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Chemical structure information

SMILES:
C=C1CCCCCC1(C)O

InChI:
InChI=1S/C9H16O/c1-8-6-4-3-5-7-9(8,2)10/h10H,1,3-7H2,2H3

InChIKey:
BYHLGMHSLROREH-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCC7C)O

Functional groups:
C=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCCC1

Scaffold Graph/Node level:
CC1CCCCCC1

Scaffold Graph level:
CC1CCCCCC1

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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-Likeness score: 2.068

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Chemical structure download