| Phytochemical Name : 1,3-Butadiene |
| PCNDIDOT0338 |
| Pubchem CID : 7845 |
| Molecular formula: C4H6 |
| Canonical SMILES : C=CC=C |
Synonymes : 1,3-BUTADIENE|Buta-1,3-diene|106-99-0|BUTADIENE|Divinyl|Vinylethylene|Biethylene|Erythrene|Bivinyl|Pyrrolylene|Butadieen|Butadien|Buta-1,3-dien|Buta-1,3-dieen|alpha,gamma-Butadiene|Butadiene monomer|9003-17-2|NCI-C50602|1,3-butadien|Butadiene-1,3-uninhibited|Buta-1,3-dien [German]|CCRIS 99|Butadiene, 1,3-|HSDB 181|vinyl ethylene|JSD5FGP5VD|.alpha.,.gamma.-Butadiene|EINECS 203-450-8|1,3 butadiene|Butadieen [Dutch]|Butadien [Polish]|alpha-gamma-butadiene|CHEBI:39478|UNII-JSD5FGP5VD|CH2=CHCH=CH2|Buta-1,3-dieen [Dutch]|CH2=CH-CH=CH2|UN 1010|1,3-Butadiene, homopolymer|1,3-Butadiene (ca. 15% in Toluene)|DTXSID3020203|1,3-BUTADIENE-2,3-D2|130983-70-9|25339-57-5|1,3-Butadiene (ca. 15% in Hexane)|EC 203-450-8|1983-06-8|1,3-BUTADIENE (IARC)|1,3-BUTADIENE [IARC]|MFCD00008659|1,3-butadiene-1,1,4,4-d4|26952-74-9|68514-37-4|1,3-Butadiene, puriss., >=99.5% (GC)|butadiene-1,3|alpha, gamma-butadiene|BUTADIENE [INCI]|1,3-Butadiene 95%|2-Butene-1,4-diylradical|alpha,< |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.680 |
| Log Po/w (XLOGP3) : 1.990 |
| Log Po/w (WLOGP) : 1.360 |
| Log Po/w (MLOGP) : 1.560 |
| Log Po/w (SILICOS-IT) : 0.880 |
| Consensus Log Po/w : 1.490 |

