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303067-90-5 | Butanedioic acid, 2,3-bis(1-methylethyl)-, 1,4-bis(2-methylpropyl) ester
CAS No: 303067-90-5 Catalog No: AG002ZLF MDL No:
Product Description
Catalog Number:
AG002ZLF
Chemical Name:
Butanedioic acid, 2,3-bis(1-methylethyl)-, 1,4-bis(2-methylpropyl) ester
CAS Number:
303067-90-5
Molecular Formula:
C18H34O4
Molecular Weight:
314.4602
IUPAC Name:
bis(2-methylpropyl) 2,3-di(propan-2-yl)butanedioate
InChI:
InChI=1S/C18H34O4/c1-11(2)9-21-17(19)15(13(5)6)16(14(7)8)18(20)22-10-12(3)4/h11-16H,9-10H2,1-8H3
InChI Key:
WNVMVIYFKFGESM-UHFFFAOYSA-N
SMILES:
CC(C(C(C(=O)OCC(C)C)C(C)C)C(=O)OCC(C)C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.466g/mol
Monoisotopic Mass:
314.246g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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