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

C11H20O5 — CID 141487660

IUPAC1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OCCOCCOC
InChIInChI=1S/C11H20O5/c1-9(2)11(12)16-10(3)15-8-7-14-6-5-13-4/h10H,1,5-8H2,2-4H3
InChIKeyVRXCEVPICKUAET-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.13
Rot. Bonds9

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

1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 141487660) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID141487660
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OCCOCCOC
InChIInChI=1S/C11H20O5/c1-9(2)11(12)16-10(3)15-8-7-14-6-5-13-4/h10H,1,5-8H2,2-4H3
InChIKeyVRXCEVPICKUAET-UHFFFAOYSA-N
XLogP1.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 141487660) is 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OCCOCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is VRXCEVPICKUAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-9(2)11(12)16-10(3)15-8-7-14-6-5-13-4/h10H,1,5-8H2,2-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 1.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 141487660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).