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89389-65-1 | Hexanoic acid, 2-ethyl-, 1-(methoxymethyl)-2-(octyloxy)ethyl ester
CAS No: 89389-65-1 Catalog No: AG003WBF MDL No:
Product Description
Catalog Number:
AG003WBF
Chemical Name:
Hexanoic acid, 2-ethyl-, 1-(methoxymethyl)-2-(octyloxy)ethyl ester
CAS Number:
89389-65-1
Molecular Formula:
C20H40O4
Molecular Weight:
344.5292
IUPAC Name:
(1-methoxy-3-octoxypropan-2-yl) 2-ethylhexanoate
InChI:
InChI=1S/C20H40O4/c1-5-8-10-11-12-13-15-23-17-19(16-22-4)24-20(21)18(7-3)14-9-6-2/h18-19H,5-17H2,1-4H3
InChI Key:
QDELACNXUBHJAX-UHFFFAOYSA-N
SMILES:
CCCCCCCCOCC(OC(=O)C(CCCC)CC)COC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.293g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.536g/mol
Monoisotopic Mass:
344.293g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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