[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate

C11H18O7 — CID 85434603

IUPAC[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
SMILESCCOC(=O)C(C)OC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C11H18O7/c1-5-16-10(14)7(3)18-11(15)8(4)17-9(13)6(2)12/h6-8,12H,5H2,1-4H3
InChIKeyVZHSKSFJSGBCNV-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.21
Rot. Bonds6

About [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate

[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate (PubChem CID 85434603) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
PubChem CID85434603
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
SMILESCCOC(=O)C(C)OC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C11H18O7/c1-5-16-10(14)7(3)18-11(15)8(4)17-9(13)6(2)12/h6-8,12H,5H2,1-4H3
InChIKeyVZHSKSFJSGBCNV-UHFFFAOYSA-N
XLogP-0.21
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxypropanoate;sulfane
CID 162209332
(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
CID 88565350
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 171574306
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
(1-octadec-9-enoxy-1-oxopropan-2-yl) 2-hydroxypropanoate
CID 90964369
[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate
CID 58669031
[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 139213145
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
(E)-4-(1-ethoxy-1-oxopropan-2-yl)oxy-4-oxobut-2-enoic acid
CID 135380311
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The IUPAC name of [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate (CID 85434603) is [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate.
What is the SMILES notation for [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The canonical SMILES for [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate is CCOC(=O)C(C)OC(=O)C(C)OC(=O)C(C)O.
What is the InChIKey of [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The InChIKey is VZHSKSFJSGBCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-5-16-10(14)7(3)18-11(15)8(4)17-9(13)6(2)12/h6-8,12H,5H2,1-4H3.
What are the key properties of [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate has a molecular weight of 262.26 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate is sourced from PubChem (CID 85434603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).