ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate

C10H18O5 — CID 11218228

IUPACethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
SMILESCCOC(=O)[C@H](C)O[C@@H](C)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-5-13-9(11)7(3)15-8(4)10(12)14-6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyRPDMOJMOEXTZSV-YUMQZZPRSA-N
MW218.25 g/mol
LogP0.91
Rot. Bonds6

About ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate

ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate (PubChem CID 11218228) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
PubChem CID11218228
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Nameethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
SMILESCCOC(=O)[C@H](C)O[C@@H](C)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-5-13-9(11)7(3)15-8(4)10(12)14-6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyRPDMOJMOEXTZSV-YUMQZZPRSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
diethyl 2-methylpropanedioate;zirconium
CID 174876844
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl 2-(ethoxymethoxy)propanoate
CID 21189118
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
CID 88565350
ethyl 2-(1-methoxydecoxy)propanoate
CID 19915563
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl (2R)-2-bromopropanoate
CID 7003709
ethyl 2-hydroxypropanoate;sulfane
CID 162209332

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate?
The IUPAC name of ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate (CID 11218228) is ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate?
The canonical SMILES for ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate is CCOC(=O)[C@H](C)O[C@@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate?
The InChIKey is RPDMOJMOEXTZSV-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18O5/c1-5-13-9(11)7(3)15-8(4)10(12)14-6-2/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate?
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate has a molecular weight of 218.25 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate is sourced from PubChem (CID 11218228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).