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p-[2-(4-Methoxymethylenecyclohexyl)ethyl]benzonitrile

HCID 20159862
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC=C1CCC(CCc2ccc(C#N)cc2)CC1
InChIKey
XQGOSHPWRGWUTB-UHFFFAOYSA-N
Molecular formula
C17H21NO
Average molar mass
255.35 g/mol

Names & identifiers

Preferred name
p-[2-(4-Methoxymethylenecyclohexyl)ethyl]benzonitrile
IUPAC
4-[2-[4-(methoxymethylidene)cyclohexyl]ethyl]benzonitrile

Names & synonyms

SCHEMBL10341672XQGOSHPWRGWUTB-UHFFFAOYSA-Np-[2-(4-methoxymethylenecyclohexyl)ethyl]benzonitrile

Database identifiers

PubChem CID
20159862

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
334

Related reactions

6 records
New reaction record
HRID 247679 reaction equation
HRID 247679As productuspto-grants-1987_11
HRID 247680 reaction equation
HRID 247680As reactantuspto-grants-1987_11
HRID 1128502 reaction equation
HRID 1128502As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1232359 reaction equation
HRID 1232359As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1731445 reaction equation
HRID 1731445As productuspto-grants-1986_11
HRID 1731446 reaction equation
HRID 1731446As reactantuspto-grants-1986_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes