Summary

IMPPAT Phytochemical identifier: IMPHY016433

Phytochemical name: 4-Methyl-2-heptanol

Synonymous chemical names:
4-methylheptan-2-ol

External chemical identifiers:
CID:143345, ChEBI:165509, SureChEMBL:SCHEMBL1658535

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Chemical structure information

SMILES:
CCCC(CC(O)C)C

InChI:
InChI=1S/C8H18O/c1-4-5-7(2)6-8(3)9/h7-9H,4-6H2,1-3H3

InChIKey:
GUHWHNUGIGOSCN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO)C)))C

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.426

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Chemical structure download