Summary

IMPPAT Phytochemical identifier: IMPHY014115

Phytochemical name: 2-Isopropyl-1,4-hexadiene

Synonymous chemical names:
(e)-salvene, salvene

External chemical identifiers:
CID:6429324, ZINC:ZINC000085947631, SureChEMBL:SCHEMBL11069046

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Chemical structure information

SMILES:
C/C=C/CC(=C)C(C)C

InChI:
InChI=1S/C9H16/c1-5-6-7-9(4)8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5+

InChIKey:
KKKHJDOOIQCWIL-AATRIKPKSA-N

DeepSMILES:
C/C=C/CC=C)CC)C

Functional groups:
C/C=C/C, C=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP-Likeness score: 1.832

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Chemical structure download