Axisocyanate 3
AlkaPlorer ID: AK083325
Synonym: ''
IUPAC Name: (5R,6S,9R,10S)-10-isocyanato-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
Structure
SMILES: CC1=C[C@@]2(CC1)[C@@H](C)CC[C@H](C(C)C)[C@@H]2N=C=O
InChI: InChI=1S/C16H25NO/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m0/s1
InChIKey: ZMUDPWLQWGWGDJ-FZKCQIBNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 247.382
TPSA？: 29.43
MolLogP？: 4.119400000000003
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|