[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate

C11H20O6 — CID 161302432

IUPAC[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate
SMILESCCCOC(C)C(=O)OCC(=O)OCOCC
InChIInChI=1S/C11H20O6/c1-4-6-15-9(3)11(13)16-7-10(12)17-8-14-5-2/h9H,4-8H2,1-3H3
InChIKeyPQFLBCDDYFGEEK-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.88
Rot. Bonds9

About [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate

[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate (PubChem CID 161302432) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate.

Molecular Properties

Compound Name[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate
PubChem CID161302432
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate
SMILESCCCOC(C)C(=O)OCC(=O)OCOCC
InChIInChI=1S/C11H20O6/c1-4-6-15-9(3)11(13)16-7-10(12)17-8-14-5-2/h9H,4-8H2,1-3H3
InChIKeyPQFLBCDDYFGEEK-UHFFFAOYSA-N
XLogP0.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(ethoxymethoxy)propanoate
CID 21189118
[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate
CID 161302430
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
ethyl 2-nonoxypropanoate
CID 88680880
phosphono 2-propoxypropanoate
CID 56633691
ethoxymethyl 2-hydroxypropanoate
CID 87466299
formyloxymethyl 2-(2-ethoxy-2-oxoethoxy)propanoate
CID 118371135
tert-butyl 2-(2-propoxyethoxy)propanoate
CID 66338102
2-methylpropyl 2-ethoxyacetate
CID 45108349
propyl 3-propoxybutanoate
CID 175273522
heptyl 2-ethoxypropanoate
CID 175702782
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate?
The IUPAC name of [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate (CID 161302432) is [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate.
What is the SMILES notation for [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate?
The canonical SMILES for [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate is CCCOC(C)C(=O)OCC(=O)OCOCC.
What is the InChIKey of [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate?
The InChIKey is PQFLBCDDYFGEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-4-6-15-9(3)11(13)16-7-10(12)17-8-14-5-2/h9H,4-8H2,1-3H3.
What are the key properties of [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate?
[2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate has a molecular weight of 248.27 g/mol, XLogP of 0.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethoxy)-2-oxoethyl] 2-propoxypropanoate is sourced from PubChem (CID 161302432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).