Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003400

Phytochemical name: 2,6,10-Trimethyldodecane

Synonymous chemical names:
2,6,10-trimethyl-dodecane, 2,6,10-trimethyl dodecane, farnesane, 2,6,10-Trimethyldodecane, 2,6,10-trimethyldodecane

External chemical identifiers:
CID:CID_19773, ChEBI:CHEBI:36756, FDASRS:8X81V0IT6Q, SureChEMBL:SCHEMBL1269942, MolPort-003-913-783

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Chemical structure information

SMILES:
CCC(CCCC(CCCC(C)C)C)C

InChI:
InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3

InChIKey:
YFHFHLSMISYUAQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC)C)))))C)))))C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.825

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Chemical structure download