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3-Methyl-4-[(2-methylpropan-2-yl)oxy]butanenitrile

HCID 12923320
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(CC#N)COC(C)(C)C
InChIKey
MPJHJUUJGQPGQG-UHFFFAOYSA-N
Molecular formula
C9H17NO
Average molar mass
155.24 g/mol

Names & identifiers

Preferred name
3-Methyl-4-[(2-methylpropan-2-yl)oxy]butanenitrile
IUPAC
3-methyl-4-[(2-methylpropan-2-yl)oxy]butanenitrile

Names & synonyms

SCHEMBL11453094

Database identifiers

PubChem CID
12923320

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
11
Formal charge
0
Complexity
149

Related reactions

2 records
New reaction record
HRID 207490 reaction equation
HRID 207490As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2141108 reaction equation
HRID 2141108As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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