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921894-04-4

921894-04-4 | Decanoic acid, 2-methyl-2-[(1-oxo-4-penten-1-yl)thio]-, ethyl ester, (2R)-

CAS No: 921894-04-4 Catalog No: AG006GJV MDL No:

Product Description

Catalog Number:
AG006GJV
Chemical Name:
Decanoic acid, 2-methyl-2-[(1-oxo-4-penten-1-yl)thio]-, ethyl ester, (2R)-
CAS Number:
921894-04-4
Molecular Formula:
C18H32O3S
Molecular Weight:
328.5099
IUPAC Name:
ethyl (2R)-2-methyl-2-pent-4-enoylsulfanyldecanoate
InChI:
InChI=1S/C18H32O3S/c1-5-8-10-11-12-13-15-18(4,17(20)21-7-3)22-16(19)14-9-6-2/h6H,2,5,7-15H2,1,3-4H3/t18-/m1/s1
InChI Key:
QBYRXRVECRSPRW-GOSISDBHSA-N
SMILES:
CCCCCCCC[C@](C(=O)OCC)(SC(=O)CCC=C)C

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
328.207g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.511g/mol
Monoisotopic Mass:
328.207g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  

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