54798-83-3
2-METHYL-2-PROPYL-HEXANOIC ACID METHYL ESTER
Name2-METHYL-2-PROPYL-HEXANOIC ACID METHYL ESTER
1Identification
【Name】
2-METHYL-2-PROPYL-HEXANOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD18971427
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H22 O2
【pro_molWeight】
186.293
【Inchi】
InChI=1S/C11H22O2/c1-5-7-9-11(3,8-6-2)10(12)13-4/h5-9H2,1-4H3
【InChIKey】
InChIKey=IAKYULIBQBGDSJ-UHFFFAOYSA-N
【SMILES】
CCCCC(C)(CCC)C(=O)OC
【MOL File】
2-METHYL-2-PROPYL-HE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-METHYL-2-PROPYL-HEXANOIC ACID METHYL ESTER.cml