(+/-)-cis-6-(2-Oxoethyl)-2,2-dimethyl-1,3-dioxane-4-acetonitrile

HCID 86744690
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Basic information

Standard SMILES
CC1(C)O[C@H](CC=O)C[C@H](CC#N)O1
InChIKey
RUQGQCPQOGHNPS-DTWKUNHWSA-N
Molecular formula
C10H15NO3
Average molar mass
197.23 g/mol
Monoisotopic mass
197.10519334

Names & identifiers

Preferred name
(+/-)-cis-6-(2-Oxoethyl)-2,2-dimethyl-1,3-dioxane-4-acetonitrile
IUPAC
2-[(4S,6S)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]acetonitrile

Names & synonyms

SCHEMBL9368841RUQGQCPQOGHNPS-DTWKUNHWSA-N(+/-)-cis-6-(2-oxoethyl)-2,2-dimethyl-1,3-dioxane-4-acetonitrile

Database identifiers

PubChem CID
86744690

Properties

Computed structural properties

XLogP
0
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Related reactions

7 records
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Compound notes

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