2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate

C13H22O6 — CID 170637718

IUPAC2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(C)OC(=O)CC
InChIInChI=1S/C13H22O6/c1-5-12(14)19-11(4)17-8-6-16-7-9-18-13(15)10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyAEOICIWROKFVJW-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.44
Rot. Bonds10

About 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 170637718) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID170637718
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(C)OC(=O)CC
InChIInChI=1S/C13H22O6/c1-5-12(14)19-11(4)17-8-6-16-7-9-18-13(15)10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyAEOICIWROKFVJW-UHFFFAOYSA-N
XLogP1.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.44
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 170637718) is 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC(C)OC(=O)CC.
What is the InChIKey of 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is AEOICIWROKFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-5-12(14)19-11(4)17-8-6-16-7-9-18-13(15)10(2)3/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 274.31 g/mol, XLogP of 1.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-propanoyloxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 170637718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).