1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate

C12H20O5 — CID 19602206

IUPAC1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate
SMILESC=C(C)C(=O)OC(C)OC(C)OC(=O)CCC
InChIInChI=1S/C12H20O5/c1-6-7-11(13)16-9(4)15-10(5)17-12(14)8(2)3/h9-10H,2,6-7H2,1,3-5H3
InChIKeyWIANXGKUMWSLGX-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.16
Rot. Bonds7

About 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate

1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate (PubChem CID 19602206) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate
PubChem CID19602206
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate
SMILESC=C(C)C(=O)OC(C)OC(C)OC(=O)CCC
InChIInChI=1S/C12H20O5/c1-6-7-11(13)16-9(4)15-10(5)17-12(14)8(2)3/h9-10H,2,6-7H2,1,3-5H3
InChIKeyWIANXGKUMWSLGX-UHFFFAOYSA-N
XLogP2.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate?
The IUPAC name of 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate (CID 19602206) is 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate.
What is the SMILES notation for 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate?
The canonical SMILES for 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate is C=C(C)C(=O)OC(C)OC(C)OC(=O)CCC.
What is the InChIKey of 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate?
The InChIKey is WIANXGKUMWSLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-6-7-11(13)16-9(4)15-10(5)17-12(14)8(2)3/h9-10H,2,6-7H2,1,3-5H3.
What are the key properties of 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate?
1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate has a molecular weight of 244.29 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enoyloxy)ethoxy]ethyl butanoate is sourced from PubChem (CID 19602206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).