Ethyl 4-methyloctanoate

Catalog Number	ACM56196533-1
CAS	56196-53-3
Structure
IUPAC Name	ethyl 4-methyloctanoate
Synonyms	Ethyl 4-methyloctanoate;56196-53-3;Oryctalure;54831-51-5;ethyl 4-methyl-octanoate;WE(2:0/8:0(4Me));Ethyl 4-metiloctanoate;Octanoic acid, 4-methyl-, ethyl ester;EINECS 260-051-1;Octanoic acid, 4-methyl-, ethyl ester, (.+/-.)-;Ethyl 4-methyloctanoate #;SCHEMBL434247;4-methyloctanoic acid ethyl ester;DTXSID40971583;4-Methyl-octanoic acid ethylester;AMY40797;LMFA07010521;MFCD02262189;AKOS006276325;AS-57878;FT-0699596
Molecular Weight	186.29g/mol
Molecular Formula	C11H22O2
Canonical SMILES	CCCCC(C)CCC(=O)OCC
InChI	InChI=1S/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3
InChI Key	GXARNRCIGKRBAP-UHFFFAOYSA-N
Complexity	132
Covalently-Bonded Unit Count	1
EC Number	260-051-1
Exact Mass	186.161979940g/mol
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Monoisotopic Mass	186.161979940g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	26.3Å²
X Log P3	3.7

Please kindly note that our products and services are for research use only.