1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate

C12H20O5 — CID 20659324

IUPAC1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate
SMILESC=C(C)C(=O)OCCCC(=O)OC(C)OCC
InChIInChI=1S/C12H20O5/c1-5-15-10(4)17-11(13)7-6-8-16-12(14)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyUFYFNGRDTBDVDG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.81
Rot. Bonds8

About 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate

1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate (PubChem CID 20659324) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate.

Molecular Properties

Compound Name1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate
PubChem CID20659324
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate
SMILESC=C(C)C(=O)OCCCC(=O)OC(C)OCC
InChIInChI=1S/C12H20O5/c1-5-15-10(4)17-11(13)7-6-8-16-12(14)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyUFYFNGRDTBDVDG-UHFFFAOYSA-N
XLogP1.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.81
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-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate?
The IUPAC name of 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate (CID 20659324) is 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate.
What is the SMILES notation for 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate?
The canonical SMILES for 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate is C=C(C)C(=O)OCCCC(=O)OC(C)OCC.
What is the InChIKey of 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate?
The InChIKey is UFYFNGRDTBDVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-5-15-10(4)17-11(13)7-6-8-16-12(14)9(2)3/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate?
1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate has a molecular weight of 244.29 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate is sourced from PubChem (CID 20659324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).