Summary

IMPPAT Phytochemical identifier: IMPHY015179

Phytochemical name: 1-Dodecyne

Synonymous chemical names:
1-dodecyne

External chemical identifiers:
CID:69821, ZINC:ZINC000002534756, SureChEMBL:SCHEMBL313297, MolPort-001-768-985

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Chemical structure information

SMILES:
CCCCCCCCCCC#C

InChI:
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3

InChIKey:
ZVDBUOGYYYNMQI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC#C

Functional groups:
C#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Acetylides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.325

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Chemical structure download