[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate

C13H22O6 — CID 158535072

IUPAC[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(=O)C(C)OC(=O)COC(=O)C(C)OC(C)(C)C
InChIInChI=1S/C13H22O6/c1-8(14)9(2)18-11(15)7-17-12(16)10(3)19-13(4,5)6/h9-10H,7H2,1-6H3
InChIKeyDBWPHFWVJSJYAZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.25
Rot. Bonds6

About [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate

[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 158535072) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID158535072
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(=O)C(C)OC(=O)COC(=O)C(C)OC(C)(C)C
InChIInChI=1S/C13H22O6/c1-8(14)9(2)18-11(15)7-17-12(16)10(3)19-13(4,5)6/h9-10H,7H2,1-6H3
InChIKeyDBWPHFWVJSJYAZ-UHFFFAOYSA-N
XLogP1.25
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] (Z)-5,5-dimethyl-4-oxohex-2-enoate;[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] (E)-5,5-dimethyl-4-oxohex-2-enoate;[1-oxo-1-(2-oxopropoxy)propan-2-yl] (Z)-5,5-dimethyl-4-oxohex-2-enoate;[1-oxo-1-(2-oxopropoxy)propan-2-yl] (E)-5,5-dimethyl-4-oxohex-2-enoate
CID 158291857
2-oxopropyl 2-[3-[(2-methylpropan-2-yl)oxy]propanoyloxy]propanoate
CID 158022091
acetylene;(2-oxo-2-phenylmethoxyethyl) 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 143799381
bis(3-oxobutan-2-yl) decanedioate
CID 91738909
decyl 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 175299623
trimethoxysilyl 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 175435798
[2-oxo-2-(2-oxoethoxy)ethyl] 2-[2-(3-methylpentan-3-yloxy)propanoyloxy]propanoate
CID 123651319
(2S,3R)-N-(2-acetamidoethyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 114274672
5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate
CID 58807583
3-oxobutan-2-yl 2-sulfanylpropanoate
CID 89302963
5-(4,4-dimethyl-3-oxopentan-2-yl)oxy-4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]hexan-3-one
CID 123158009
(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
CID 126705697

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate (CID 158535072) is [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate is CC(=O)C(C)OC(=O)COC(=O)C(C)OC(C)(C)C.
What is the InChIKey of [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is DBWPHFWVJSJYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-8(14)9(2)18-11(15)7-17-12(16)10(3)19-13(4,5)6/h9-10H,7H2,1-6H3.
What are the key properties of [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate?
[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 274.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 158535072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).