Summary

IMPPAT Phytochemical identifier: IMPHY016600

Phytochemical name: Cyclopentane, 1,2-dimethyl-3-methylene-, trans-

Synonymous chemical names:
cyclopentane,1,2-dimethyl-3-methylene,trans

External chemical identifiers:
CID:91700516

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Chemical structure information

SMILES:
C[C@@H]1CCC(=C)[C@H]1C

InChI:
InChI=1S/C8H14/c1-6-4-5-7(2)8(6)3/h7-8H,1,4-5H2,2-3H3/t7-,8-/m1/s1

InChIKey:
SITNPFCTAOJHRR-HTQZYQBOSA-N

DeepSMILES:
C[C@@H]CCC=C)[C@H]5C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC1

Scaffold Graph/Node level:
CC1CCCC1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 2.707

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Chemical structure download