Summary

IMPPAT Phytochemical identifier: IMPHY004530

Phytochemical name: 2,6,6-Trimethyl-2-vinyltetrahydropyran

Synonymous chemical names:
2,2,6-trimethyl-2-vinyl-tetrahydropyran, 2,2,6-trimethyl-6-vinyltetrahydropyran, 2,6,6-trimethyl-2-vinyl tetrahydropyran, 2,6,6-trimethyl-2-vinyltetrahydropyran, 2-ethenyltetrahydro-2,6,6-trimethyl-2h-pyran, linaloyl oxide

External chemical identifiers:
CID:522514, ChEBI:132848, FDASRS:V3824Q785M, SureChEMBL:SCHEMBL583643

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3

InChIKey:
NETOHYFTCONTDT-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCCCO6)C)C

Functional groups:
C=CC, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.574

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Chemical structure download