Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

HCID 5114445

Notes Reactions

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Basic information

CAS: 60356-11-8
Standard SMILES: CCOC(=O)C(C#N)=C1CCC2(CC1)OCCO2
InChIKey: WXCNIHQUZGGPAJ-UHFFFAOYSA-N
Molecular formula: C13H17NO4
Average molar mass: 251.28 g/mol
Monoisotopic mass: 251.11575802

Names & identifiers

Preferred name: Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
IUPAC: ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

Names & synonyms

60356-11-8Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetateST51003188ethyl 2-cyano-2-[1,4-dioxaspiro[4.5]decan-8-ylidene]acetateSCHEMBL15862873DTXSID00408481WXCNIHQUZGGPAJ-UHFFFAOYSA-Nethyl 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-2-cyanoacetateAKOS024368677DA-04516Ethyl cyano(1,4-dioxaspiro[4.5]decan-8-ylidene)acetatecyano-(1,4-dioxa-spiro[4.5]dec-8-ylidene)-acetic acid ethyl ester

Database identifiers

CAS: 60356-11-8
PubChem CID: 5114445
DTXSID: DTXSID00408481

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 68.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 400

Related reactions

2 records

New reaction record

HRID 2169298As productuspto-grants-2015_06

HRID 2169299As reactantuspto-grants-2015_06

Compound notes

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