Summary

IMPPAT Phytochemical identifier: IMPHY008421

Phytochemical name: (2R)-2-[(2S,5S)-5-methyl-5-vinyltetrahydrofuran-2-yl]propanal

Synonymous chemical names:
lilac aldehyde

External chemical identifiers:
CID:5462398, ChEBI:27733, FDASRS:M4F9N3M370

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Chemical structure information

SMILES:
O=C[C@@H]([C@@H]1CC[C@@](O1)(C)C=C)C

InChI:
InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10+/m0/s1

InChIKey:
YPZQHCLBLRWNMJ-LPEHRKFASA-N

DeepSMILES:
O=C[C@@H][C@@H]CC[C@@]O5)C)C=C))))))C

Functional groups:
C=CC, CC=O, 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: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 3.515

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Chemical structure download