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875876-92-9 | Hexanoic acid, 2-ethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
CAS No: 875876-92-9 Catalog No: AG004PWO MDL No:
Product Description
Catalog Number:
AG004PWO
Chemical Name:
Hexanoic acid, 2-ethyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
CAS Number:
875876-92-9
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
3,7-dimethylocta-2,6-dienyl 2-ethylhexanoate
InChI:
InChI=1S/C18H32O2/c1-6-8-12-17(7-2)18(19)20-14-13-16(5)11-9-10-15(3)4/h10,13,17H,6-9,11-12,14H2,1-5H3
InChI Key:
IRGQKVKJPAFLOT-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OC/C=C(/CCC=C(C)C)\C)CC
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.24g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.452g/mol
Monoisotopic Mass:
280.24g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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