ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate

C12H14O5 — CID 90822028

IUPACethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate
SMILESC=COC(=O)CC=COC=CCC(=O)OC=C
InChIInChI=1S/C12H14O5/c1-3-16-11(13)7-5-9-15-10-6-8-12(14)17-4-2/h3-6,9-10H,1-2,7-8H2
InChIKeyFLBILIZDNLKSKN-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.18
Rot. Bonds8

About ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate

ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate (PubChem CID 90822028) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate.

Molecular Properties

Compound Nameethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate
PubChem CID90822028
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Nameethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate
SMILESC=COC(=O)CC=COC=CCC(=O)OC=C
InChIInChI=1S/C12H14O5/c1-3-16-11(13)7-5-9-15-10-6-8-12(14)17-4-2/h3-6,9-10H,1-2,7-8H2
InChIKeyFLBILIZDNLKSKN-UHFFFAOYSA-N
XLogP2.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate?
The IUPAC name of ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate (CID 90822028) is ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate.
What is the SMILES notation for ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate?
The canonical SMILES for ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate is C=COC(=O)CC=COC=CCC(=O)OC=C.
What is the InChIKey of ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate?
The InChIKey is FLBILIZDNLKSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-3-16-11(13)7-5-9-15-10-6-8-12(14)17-4-2/h3-6,9-10H,1-2,7-8H2.
What are the key properties of ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate?
ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate has a molecular weight of 238.24 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate is sourced from PubChem (CID 90822028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).