ethyl 2-methoxycarbonyloxypropanoate

C7H12O5 — CID 14620012

IUPACethyl 2-methoxycarbonyloxypropanoate
SMILESCCOC(=O)C(C)OC(=O)OC
InChIInChI=1S/C7H12O5/c1-4-11-6(8)5(2)12-7(9)10-3/h5H,4H2,1-3H3
InChIKeyONSUWFVPWCSGTO-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.72
Rot. Bonds3

About ethyl 2-methoxycarbonyloxypropanoate

ethyl 2-methoxycarbonyloxypropanoate (PubChem CID 14620012) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is ethyl 2-methoxycarbonyloxypropanoate.

Molecular Properties

Compound Nameethyl 2-methoxycarbonyloxypropanoate
PubChem CID14620012
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Nameethyl 2-methoxycarbonyloxypropanoate
SMILESCCOC(=O)C(C)OC(=O)OC
InChIInChI=1S/C7H12O5/c1-4-11-6(8)5(2)12-7(9)10-3/h5H,4H2,1-3H3
InChIKeyONSUWFVPWCSGTO-UHFFFAOYSA-N
XLogP0.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methoxycarbonyloxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate
CID 58928740
[(2S)-1-ethoxy-1-oxopropan-2-yl] 3-oxobutanoate
CID 12529181
(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
CID 88565350
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535
prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate
CID 88616849
prop-2-ynyl 2-methoxycarbonyloxypropanoate
CID 88549091
ethyl (2S)-2-[acetamido(methyl)carbamoyl]oxypropanoate
CID 90677915
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxycarbonyloxypropanoate?
The IUPAC name of ethyl 2-methoxycarbonyloxypropanoate (CID 14620012) is ethyl 2-methoxycarbonyloxypropanoate.
What is the SMILES notation for ethyl 2-methoxycarbonyloxypropanoate?
The canonical SMILES for ethyl 2-methoxycarbonyloxypropanoate is CCOC(=O)C(C)OC(=O)OC.
What is the InChIKey of ethyl 2-methoxycarbonyloxypropanoate?
The InChIKey is ONSUWFVPWCSGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-4-11-6(8)5(2)12-7(9)10-3/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-methoxycarbonyloxypropanoate?
ethyl 2-methoxycarbonyloxypropanoate has a molecular weight of 176.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxycarbonyloxypropanoate is sourced from PubChem (CID 14620012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).