(+/-)-cis-2,2-Dimethyl-6-(2-propenyl)-1,3-dioxane-4-acetonitrile

HCID 15045109
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Basic information

Standard SMILES
C=CC[C@@H]1C[C@H](CC#N)OC(C)(C)O1
InChIKey
KOXRGLSAKBHDON-ZJUUUORDSA-N
Molecular formula
C11H17NO2
Average molar mass
195.26 g/mol

Names & identifiers

Preferred name
(+/-)-cis-2,2-Dimethyl-6-(2-propenyl)-1,3-dioxane-4-acetonitrile
IUPAC
2-[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]acetonitrile

Names & synonyms

SCHEMBL9368805KOXRGLSAKBHDON-ZJUUUORDSA-N(+/-)-cis-2,2-dimethyl-6-(2-propenyl)-1,3-dioxane-4-acetonitrile

Database identifiers

PubChem CID
15045109

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Related reactions

14 records
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Linked notes

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