1.0 2010-04-08 22:13:06 UTC 2019-11-26 03:14:53 UTC FDB017457 alpha-Sinensal Constituent of orange oil. alpha-Sinensal is found in lemon, sweet orange, and citrus. (2E,6E,9E)-2,6,10-Trimethyl-2,6,9,11-dodecatetraenal (E,E,E)-2,6,10-Trimethyldodeca-2,6,9,11-tetraen-1-al &alpha;-sinensal 2,6,10-Trimethyl-(2e,6e,9e)-2,6,9,11-dodecatetraenal 2,6,10-Trimethyl-(e,e,e)-2,6,9,11-dodecatetraenal 2,6,10-Trimethyl-2,6,9,11-dodecatetraenal 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl- 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (2E,6E,9E)- 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)- a-Sinensal? alpha -Sinensal alpha-Sinensal b-Sinensal (obsol.)? C15H22O 218.3346 218.167065326 (2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal (2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal 17909-77-2 C\C(CC\C=C(\C)C=O)=C/C\C=C(\C)C=C InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8-,14-9+,15-11- PFSTYGCNVAVZBK-KVDYQJCMSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic acyclic compounds Enals Hydrocarbon derivatives Medium-chain aldehydes Organic oxides Aldehyde Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Farsesane sesquiterpenoid Hydrocarbon derivative Medium-chain aldehyde Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 5.06 ALOGPS logs -4.13 ALOGPS solubility 1.62e-02 g/l ALOGPS logp 4.17 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles C\C(CC\C=C(\C)C=O)=C/C\C=C(\C)C=C ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8-,14-9+,15-11- ChemAxon inchikey PFSTYGCNVAVZBK-KVDYQJCMSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 74.05 ChemAxon polarizability 26.94 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21822 Specdb::MsMs 57780 Specdb::MsMs 57781 Specdb::MsMs 57782 Specdb::MsMs 113553 Specdb::MsMs 113554 Specdb::MsMs 113555 HMDB38215 #<Reference:0x000055ce30dda438> Citrus Unknown generic Lemon Type 1 specific Citrus limon 2708 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 1.65 1.65 1.65 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 0.3 0.3 0.3 mg/100 g citrus mandarin orange