2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate

C14H24O8 — CID 20770081

IUPAC2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate
SMILESC=COCOCCOC(=O)CCOCOCCOC(=O)CC
InChIInChI=1S/C14H24O8/c1-3-13(15)21-9-7-20-12-18-6-5-14(16)22-10-8-19-11-17-4-2/h4H,2-3,5-12H2,1H3
InChIKeyIEXXWTLHVXAAOL-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.00
Rot. Bonds15

About 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate

2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate (PubChem CID 20770081) has the molecular formula C14H24O8 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate.

Molecular Properties

Compound Name2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate
PubChem CID20770081
Molecular FormulaC14H24O8
Molecular Weight320.34 g/mol
Exact Mass320.15
IUPAC Name2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate
SMILESC=COCOCCOC(=O)CCOCOCCOC(=O)CC
InChIInChI=1S/C14H24O8/c1-3-13(15)21-9-7-20-12-18-6-5-14(16)22-10-8-19-11-17-4-2/h4H,2-3,5-12H2,1H3
InChIKeyIEXXWTLHVXAAOL-UHFFFAOYSA-N
XLogP1.00
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate?
The IUPAC name of 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate (CID 20770081) is 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate.
What is the SMILES notation for 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate?
The canonical SMILES for 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate is C=COCOCCOC(=O)CCOCOCCOC(=O)CC.
What is the InChIKey of 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate?
The InChIKey is IEXXWTLHVXAAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O8/c1-3-13(15)21-9-7-20-12-18-6-5-14(16)22-10-8-19-11-17-4-2/h4H,2-3,5-12H2,1H3.
What are the key properties of 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate?
2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate has a molecular weight of 320.34 g/mol, XLogP of 1.00, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethoxy)ethyl 3-(2-propanoyloxyethoxymethoxy)propanoate is sourced from PubChem (CID 20770081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).