Basic information
- Standard SMILES
C=CC[C@@H]1C[C@H](CC#N)OC2(CCCCC2)O1- InChIKey
WEEYRMGRAHCHKG-OLZOCXBDSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
Names & identifiers
- Preferred name
- (+/-)-cis-4-(2-Propenyl)-1,5-dioxaspiro[5.5]undecane-2-acetonitrile
- IUPAC
- 2-[(2R,4S)-2-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-4-yl]acetonitrile
Names & synonyms
SCHEMBL9368684WEEYRMGRAHCHKG-OLZOCXBDSA-N(+/-)-cis-4-(2-propenyl)-1,5-dioxa-spiro[5.5]undecane-2-acetonitrile(+/-)-cis-4-(2-propenyl)-1,5-dioxaspiro[5.5]undecane-2-acetonitrile
Database identifiers
- PubChem CID
- 15045136
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
7 records
Compound notes
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