1.0 2010-04-08 22:07:59 UTC 2020-02-24 19:10:51 UTC FDB008242 4-Penten-2-one Constituent of Tamarindus indica (tamarind). 4-Penten-2-one is found in fruits and tamarind. Allyl methyl ketone Vinylacetone C5H8O 84.1164 84.057514878 pent-4-en-2-one pent-4-en-2-one 13891-87-7 CC(=O)CC=C InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3 PNJWIWWMYCMZRO-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons methyl ketone olefinic compound logp 0.66 ALOGPS logs -0.57 ALOGPS solubility 2.26e+01 g/l ALOGPS logp 0.95 ChemAxon pka_strongest_acidic 16.89 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac pent-4-en-2-one ChemAxon average_mass 84.1164 ChemAxon mono_mass 84.057514878 ChemAxon smiles CC(=O)CC=C ChemAxon formula C5H8O ChemAxon inchi InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3 ChemAxon inchikey PNJWIWWMYCMZRO-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 25.47 ChemAxon polarizability 9.49 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10973 Specdb::CMs 172730 Specdb::MsIr 4718 Specdb::MsIr 4719 Specdb::MsMs 75747 Specdb::MsMs 75748 Specdb::MsMs 75749 Specdb::MsMs 135447 Specdb::MsMs 135448 Specdb::MsMs 135449 Specdb::MsMs 2701645 Specdb::MsMs 2701646 Specdb::MsMs 2701647 Specdb::MsMs 3007781 Specdb::MsMs 3007782 Specdb::MsMs 3007783 Specdb::NmrOneD 164929 Specdb::NmrOneD 164930 Specdb::NmrOneD 164931 Specdb::NmrOneD 164932 Specdb::NmrOneD 164933 Specdb::NmrOneD 164934 Specdb::NmrOneD 164935 Specdb::NmrOneD 164936 Specdb::NmrOneD 164937 Specdb::NmrOneD 164938 Specdb::NmrOneD 164939 Specdb::NmrOneD 164940 Specdb::NmrOneD 164941 Specdb::NmrOneD 164942 Specdb::NmrOneD 164943 Specdb::NmrOneD 164944 Specdb::NmrOneD 164945 Specdb::NmrOneD 164946 Specdb::NmrOneD 164947 Specdb::NmrOneD 164948 HMDB31606 #<Reference:0x000055ce32cfbf60> Fruits Unknown generic Tamarind Type 1 specific Tamarindus indica 58860