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3-Ethyl-7-methylocta-2,6-dienal

HCID 53789148
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCC(=CC=O)CCC=C(C)C
InChIKey
FAOLZFAXGSIISJ-UHFFFAOYSA-N
Molecular formula
C11H18O
Average molar mass
166.26 g/mol

Names & identifiers

Preferred name
3-Ethyl-7-methylocta-2,6-dienal
IUPAC
3-ethyl-7-methylocta-2,6-dienal

Names & synonyms

SCHEMBL8601064

Database identifiers

PubChem CID
53789148

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
12
Formal charge
0
Complexity
183

Related reactions

2 records
New reaction record
HRID 187884 reaction equation
HRID 187884As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 199728 reaction equation
HRID 199728As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes