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65954-59-8 | Hexanedioic acid, 2-methyl-5-methylene-, dipentyl ester
CAS No: 65954-59-8 Catalog No: AG006LSN MDL No:
Product Description
Catalog Number:
AG006LSN
Chemical Name:
Hexanedioic acid, 2-methyl-5-methylene-, dipentyl ester
CAS Number:
65954-59-8
Molecular Formula:
C18H32O4
Molecular Weight:
312.4443
IUPAC Name:
dipentyl 2-methyl-5-methylidenehexanedioate
InChI:
InChI=1S/C18H32O4/c1-5-7-9-13-21-17(19)15(3)11-12-16(4)18(20)22-14-10-8-6-2/h16H,3,5-14H2,1-2,4H3
InChI Key:
CEWCHRJPUHCBSS-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)C(CCC(=C)C(=O)OCCCCC)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.23g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.45g/mol
Monoisotopic Mass:
312.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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