1-Isocyano-6-spiroaxene; (1R,4S,5R,10S)-form
AlkaPlorer ID: AK302863
Synonym: Acanthisonitrile 3
IUPAC Name: 4-isocyano-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-ene
Structure
SMILES: [C-]#[N+]C1C(C)CCC12C=C(C(C)C)CCC2C
InChI: InChI=1S/C16H25N/c1-11(2)14-7-6-13(4)16(10-14)9-8-12(3)15(16)17-5/h10-13,15H,6-9H2,1-4H3
InChIKey: CCNJROSXBCZDQI-UHFFFAOYSA-N
Reference
CAS: 112766-99-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella acuta | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 231.383
TPSA？: 4.36
MolLogP？: 4.7028900000000045
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|