2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate

C12H18O10 — CID 20768535

IUPAC2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
SMILESCOC(=O)OCCOC(=O)C(C)OC(=O)C(C)OC(=O)OC
InChIInChI=1S/C12H18O10/c1-7(9(13)19-5-6-20-11(15)17-3)21-10(14)8(2)22-12(16)18-4/h7-8H,5-6H2,1-4H3
InChIKeyVACHSQCRRWQYCM-UHFFFAOYSA-N
MW322.27 g/mol
LogP0.42
Rot. Bonds7

About 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate

2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate (PubChem CID 20768535) has the molecular formula C12H18O10 and a molecular weight of 322.27 g/mol. Its IUPAC name is 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate.

Molecular Properties

Compound Name2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
PubChem CID20768535
Molecular FormulaC12H18O10
Molecular Weight322.27 g/mol
Exact Mass322.09
IUPAC Name2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
SMILESCOC(=O)OCCOC(=O)C(C)OC(=O)C(C)OC(=O)OC
InChIInChI=1S/C12H18O10/c1-7(9(13)19-5-6-20-11(15)17-3)21-10(14)8(2)22-12(16)18-4/h7-8H,5-6H2,1-4H3
InChIKeyVACHSQCRRWQYCM-UHFFFAOYSA-N
XLogP0.42
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
[1-oxo-1-[2-[2-oxo-2-(2-oxopropoxy)ethoxy]carbonyloxyethoxy]propan-2-yl] 2-methoxypropanoate
CID 176759680
[1-[2-[2-[2-(acetamidomethylcarbamoyloxy)propanoyloxy]propanoyloxy]ethoxy]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 59464762
4-methoxycarbonyloxybutan-2-yl methyl carbonate
CID 102005432
prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate
CID 88616849
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
prop-2-ynyl 2-methoxycarbonyloxypropanoate
CID 88549091
2-methoxyethyl 2-prop-2-ynoxycarbonyloxypropanoate
CID 88550156
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
[1-oxo-1-[3-[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxopropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxycarbonyloxypropoxy]propan-2-yl] 2-hydroxypropanoate
CID 153467290

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate?
The IUPAC name of 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate (CID 20768535) is 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate.
What is the SMILES notation for 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate?
The canonical SMILES for 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate is COC(=O)OCCOC(=O)C(C)OC(=O)C(C)OC(=O)OC.
What is the InChIKey of 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate?
The InChIKey is VACHSQCRRWQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O10/c1-7(9(13)19-5-6-20-11(15)17-3)21-10(14)8(2)22-12(16)18-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate?
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate has a molecular weight of 322.27 g/mol, XLogP of 0.42, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate is sourced from PubChem (CID 20768535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).