[2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
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![[2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/56349d1d1aba4a81b0c819d2bb68de24.png "[2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate")
[2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
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CAS No:
74381-40-1
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Formula:
C16H30O4
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Chemical Name:
[2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
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Synonyms:
2,4,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate);74381-40-1;SCHEMBL2170498;CHEBI:84228;DTXSID50881220;[2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate;2,4,4-trimethylpentan-1,3-diol-diisobutyrate;Q27157598;Bisisobutyric acid 2,4,4-trimethylpentane-1,3-diyl ester
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CAS No:
Description
2,4,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate) is a diester obtained by the formal condensation of 2,4,4-trimethylpentane-1,3-diol with two molecules of 2-methylpropanoic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite.
[2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate Basic Attributes
286.41 g/mol
286.21440943 g/mol
Computed Properties
Molecular Weight:286.41
XLogP3:4.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:286.21440943
Monoisotopic Mass:286.21440943
Topological Polar Surface Area:52.6
Heavy Atom Count:20
Complexity:326
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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