Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018228

Phytochemical name: Bicyclo[3.1.1]heptane, 6,6-dimethyl-3-methylene-

Synonymous chemical names:
Bicyclo[3.1.1]heptane, 6,6-dimethyl-3-methylene-

External chemical identifiers:
CID:CID_564541

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Chemical structure information

SMILES:
C=C1CC2CC(C1)C2(C)C

InChI:
InChI=1S/C10H16/c1-7-4-8-6-9(5-7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

InChIKey:
AKTVSHXUPUGPRY-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6)C4C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

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

Scaffold Graph/Node level:
CC1CC2CC(C1)C2

Scaffold Graph level:
CC1CC2CC(C1)C2

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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: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 2.14

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Chemical structure download