(+)-Axisonitrile 3
(6S,9R,10S)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
Also Known As: Axisonitrile 3|Axisonitrile-3|(+)-Axisonitrile 3|Axisonitrile 3 [C16H25N]|(6S,9R,10S)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene|6-Isocyano-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-ene|(6S,7R,10S)-6-Isocyano-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-ene|Spiro[4.5]dec-1-ene, 6-isocyano-2,10-dimethyl-7-(1-methylethyl)-, [5R-(5.alpha.,6.beta.,7.beta.,10.alpha.)]-
| Molecular Formula | C16H25N |
|---|---|
| Molecular Weight | 231.1987 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.1987 |
| Monoisotopic Mass | 231.1987 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 59633-83-9 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@@H](C12CCC(=C2)C)[N+]#[C-])C(C)C |
| InChIKey | CLJZNXABBGEKKI-QGPPMGRFSA-N |
Product Overview
(+)-Axisonitrile 3 (CAS 59633-83-9), with molecular formula C16H25N and molecular weight 231.1987 g/mol. IUPAC: (6S,9R,10S)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene.
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