[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate

C11H20O5 — CID 171574306

IUPAC[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(C)C(=O)OC(C)C(C)C
InChIInChI=1S/C11H20O5/c1-6(2)8(4)15-11(14)9(5)16-10(13)7(3)12/h6-9,12H,1-5H3
InChIKeyAUGKEIMOELBQKS-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.89
Rot. Bonds5

About [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate

[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate (PubChem CID 171574306) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
PubChem CID171574306
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(C)C(=O)OC(C)C(C)C
InChIInChI=1S/C11H20O5/c1-6(2)8(4)15-11(14)9(5)16-10(13)7(3)12/h6-9,12H,1-5H3
InChIKeyAUGKEIMOELBQKS-UHFFFAOYSA-N
XLogP0.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
[(2S)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxopropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 139213145
[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate
CID 58669031
2-[(2R)-2-hydroxypropanoyl]oxypropanoic acid
CID 54178313
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964
1-chloroethyl 2-hydroxypropanoate
CID 151805922
potassium;hydride;2-(2-hydroxypropanoyloxy)propanoic acid
CID 173006474
[(2S)-1-oxo-1-(1-phenylethoxy)propan-2-yl] (2S)-2-hydroxypropanoate
CID 11962000
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[1-(3,3-dimethylbutan-2-yloxy)-1-oxopropan-2-yl] 2-methylpropanoate
CID 157440334

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate?
The IUPAC name of [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate (CID 171574306) is [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate.
What is the SMILES notation for [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate?
The canonical SMILES for [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate is CC(O)C(=O)OC(C)C(=O)OC(C)C(C)C.
What is the InChIKey of [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate?
The InChIKey is AUGKEIMOELBQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-6(2)8(4)15-11(14)9(5)16-10(13)7(3)12/h6-9,12H,1-5H3.
What are the key properties of [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate?
[1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate has a molecular weight of 232.28 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutan-2-yloxy)-1-oxopropan-2-yl] 2-hydroxypropanoate is sourced from PubChem (CID 171574306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).