2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate

C14H24O6 — CID 165393232

IUPAC2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate
SMILESCCOCCOCCOC(=O)CCC1CCCC(=O)O1
InChIInChI=1S/C14H24O6/c1-2-17-8-9-18-10-11-19-13(15)7-6-12-4-3-5-14(16)20-12/h12H,2-11H2,1H3
InChIKeyLNTKXMHEVWKXHH-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.46
Rot. Bonds10

About 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate

2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate (PubChem CID 165393232) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate
PubChem CID165393232
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate
SMILESCCOCCOCCOC(=O)CCC1CCCC(=O)O1
InChIInChI=1S/C14H24O6/c1-2-17-8-9-18-10-11-19-13(15)7-6-12-4-3-5-14(16)20-12/h12H,2-11H2,1H3
InChIKeyLNTKXMHEVWKXHH-UHFFFAOYSA-N
XLogP1.46
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.46
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-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate (CID 165393232) is 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate is CCOCCOCCOC(=O)CCC1CCCC(=O)O1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate?
The InChIKey is LNTKXMHEVWKXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-2-17-8-9-18-10-11-19-13(15)7-6-12-4-3-5-14(16)20-12/h12H,2-11H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate?
2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate has a molecular weight of 288.34 g/mol, XLogP of 1.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 3-(6-oxooxan-2-yl)propanoate is sourced from PubChem (CID 165393232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).