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114390-51-1 | Hexanoic acid, 2-ethyl-, 4-[(1-oxopentyl)oxy]cyclohexyl ester
CAS No: 114390-51-1 Catalog No: AG000B8N MDL No:
Product Description
Catalog Number:
AG000B8N
Chemical Name:
Hexanoic acid, 2-ethyl-, 4-[(1-oxopentyl)oxy]cyclohexyl ester
CAS Number:
114390-51-1
Molecular Formula:
C19H34O4
Molecular Weight:
326.4709
IUPAC Name:
(4-pentanoyloxycyclohexyl) 2-ethylhexanoate
InChI:
InChI=1S/C19H34O4/c1-4-7-9-15(6-3)19(21)23-17-13-11-16(12-14-17)22-18(20)10-8-5-2/h15-17H,4-14H2,1-3H3
InChI Key:
NRHDLBDISNZSOJ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC1CCC(CC1)OC(=O)C(CCCC)CC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.246g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.477g/mol
Monoisotopic Mass:
326.246g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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