| Phytochemical Name : 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene |
| PCNDIDOT0452 |
| Pubchem CID : 103031 |
| Molecular formula: C13H12O2 |
| Canonical SMILES : CC#CC#CC=C1C=CC2(O1)CCCO2 |
Synonymes : 16863-61-9|2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene|EINECS 240-885-2|2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene|2-(2,4-Hexadiynylidene)-1,6-dioxaspiro(4.4)non-3-ene|1,6-Dioxaspiro(4.4)non-3-ene, 2-(2,4-hexadiynylidene)-|En-yn-dicycloether|2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene|4-Deoxy-2,3-dihydromycosinol|DTXSID90937513 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.080 |
| Log Po/w (XLOGP3) : 2.510 |
| Log Po/w (WLOGP) : 2.150 |
| Log Po/w (MLOGP) : 2.330 |
| Log Po/w (SILICOS-IT) : 2.770 |
| Consensus Log Po/w : 2.570 |