Summary

IMPPAT Phytochemical identifier: IMPHY017089

Phytochemical name: 2-Ethenyl-2-methyl-5-propan-2-yloxolane

Synonymous chemical names:
5-isopropyl-2-methyl-2-vinyltetrahydrofuran

External chemical identifiers:
CID:14040251, SureChEMBL:SCHEMBL12486206

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Chemical structure information

SMILES:
C=CC1(C)CCC(O1)C(C)C

InChI:
InChI=1S/C10H18O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,8-9H,1,6-7H2,2-4H3

InChIKey:
GPVKUNYYWAKDRY-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCCO5)CC)C

Functional groups:
C=CC, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxolanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 3.13

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Chemical structure download