2228-72-0
5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL)-3-METHYL-(2E,4E)-PENTADIENOIC ACID
Name5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL)-3-METHYL-(2E,4E)-PENTADIENOIC ACID
1Identification
【Name】
5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL)-3-METHYL-(2E,4E)-PENTADIENOIC ACID
【CAS】
【MDL】
MFCD00132890
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H20 O4
【pro_molWeight】
264.319
【Inchi】
InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m1/s1
【InChIKey】
InChIKey=JLIDBLDQVAYHNE-IBPUIESWSA-N
【SMILES】
CC1=CC(=O)CC([C@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C
【MOL File】
5-(1-HYDROXY-2,6,6-T….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL)-3-METHYL-(2E,4E)-PENTADIENOIC ACID.cml