1.0 2010-04-08 22:05:53 UTC 2025-11-18 22:53:18 UTC FDB003640 Methylajoene Methylajoene, also known as 1,2-butadien or 1-methylallene, is a member of the class of compounds known as acyclic allenes. Acyclic allenes are acyclic hydrocarbons (and by extension, derivatives formed by substitution) having two double bonds from one carbon atom to two others. Methylajoene can be found in soft-necked garlic, which makes methylajoene a potential biomarker for the consumption of this food product. C4H6 54.092 54.046950193 buta-1,2-diene 1,2-butadiene 590-19-2 CC=C=C InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3 QNRMTGGDHLBXQZ-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic allenes. These are acyclic hydrocarbons (and by extension, derivatives formed by substitution) having two double bonds from one carbon atom to two others. Acyclic allenes Organic compounds Allenes Acyclic allenes Aliphatic acyclic compounds Unsaturated aliphatic hydrocarbons Acyclic allene Aliphatic acyclic compound Hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon allenes butadiene logp 2.30 ALOGPS logs 0.27 ALOGPS solubility 1.01e+02 g/l ALOGPS logp 1.73 ChemAxon iupac buta-1,2-diene ChemAxon average_mass 54.092 ChemAxon mono_mass 54.046950193 ChemAxon smiles CC=C=C ChemAxon formula C4H6 ChemAxon inchi InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3 ChemAxon inchikey QNRMTGGDHLBXQZ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 19.93 ChemAxon polarizability 6.87 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43671 Specdb::MsMs 43672 Specdb::MsMs 43673 Specdb::MsMs 133383 Specdb::MsMs 133384 Specdb::MsMs 133385 Specdb::MsMs 3599309 Specdb::MsMs 3599310 Specdb::MsMs 3599311 Specdb::MsMs 3599312 Specdb::MsMs 3599313 Specdb::MsMs 3599314 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Hypocholesterolemic 1016