7,9,9-Trimethyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
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Basic information
- CAS
6309-26-8- Standard SMILES
CC1(C)CC(C)(C#N)CC2(C1)OCCO2- InChIKey
OAJZQIAICUCTEU-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- 7,9,9-Trimethyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
- IUPAC
- 7,9,9-trimethyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
- English name
- 7,7,9-trimethyl-1,4-dioxaspiro[4.5]decane-9-carbonitrile
- Molecular formula
- C12H19NO2
- Molecular weight
- 209.28
Names & synonyms
6309-26-87,9,9-trimethyl-1,4-dioxaspiro[4.5]decane-7-carbonitrileNSC42539SCHEMBL4705130DTXSID402856371,4-Dioxaspiro[4.5]decane-7-carbonitrile,7,9,9-trimethyl-NSC-42539DS-0084337-cyano-7,9,9-trimethyl-1,4-dioxaspiro[4.5]decane7,7,9-trimethyl-1,4-dioxaspiro[4.5]decane-9-carbonitrile1,4-Dioxaspiro[4.5]decane-7-carbonitrile, 7,9,9-trimethyl-
Database identifiers
- CAS
6309-26-8- PubChem CID
- 238245
- DTXSID
DTXSID40285637
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
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Compound notes
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