2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate

C10H18O6 — CID 21348302

IUPAC2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate
SMILESCOCCOC(=O)COCCOCC(C)=O
InChIInChI=1S/C10H18O6/c1-9(11)7-14-4-5-15-8-10(12)16-6-3-13-2/h3-8H2,1-2H3
InChIKeyLMPXQWIDFOPVNU-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.20
Rot. Bonds10

About 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate

2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate (PubChem CID 21348302) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate
PubChem CID21348302
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate
SMILESCOCCOC(=O)COCCOCC(C)=O
InChIInChI=1S/C10H18O6/c1-9(11)7-14-4-5-15-8-10(12)16-6-3-13-2/h3-8H2,1-2H3
InChIKeyLMPXQWIDFOPVNU-UHFFFAOYSA-N
XLogP-0.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate?
The IUPAC name of 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate (CID 21348302) is 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate?
The canonical SMILES for 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate is COCCOC(=O)COCCOCC(C)=O.
What is the InChIKey of 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate?
The InChIKey is LMPXQWIDFOPVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-9(11)7-14-4-5-15-8-10(12)16-6-3-13-2/h3-8H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate?
2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate has a molecular weight of 234.25 g/mol, XLogP of -0.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[2-(2-oxopropoxy)ethoxy]acetate is sourced from PubChem (CID 21348302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).