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100807-47-4 | Pentadecanoic acid, 2-(5-methyl-1-oxo-4-hexen-1-yl)-14-oxo-, ethyl ester
CAS No: 100807-47-4 Catalog No: AG0002XZ MDL No:
Product Description
Catalog Number:
AG0002XZ
Chemical Name:
Pentadecanoic acid, 2-(5-methyl-1-oxo-4-hexen-1-yl)-14-oxo-, ethyl ester
CAS Number:
100807-47-4
Molecular Formula:
C24H42O4
Molecular Weight:
394.5879
IUPAC Name:
ethyl 2-(5-methylhex-4-enoyl)-14-oxopentadecanoate
InChI:
InChI=1S/C24H42O4/c1-5-28-24(27)22(23(26)19-15-16-20(2)3)18-14-12-10-8-6-7-9-11-13-17-21(4)25/h16,22H,5-15,17-19H2,1-4H3
InChI Key:
JUXSJXBWJCBYAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)CCC=C(C)C)CCCCCCCCCCCC(=O)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.308g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.596g/mol
Monoisotopic Mass:
394.308g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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