2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate

C11H16O5 — CID 139924913

IUPAC2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate
SMILESC=COC=C(C)OC(C)COC(=O)C(C)=O
InChIInChI=1S/C11H16O5/c1-5-14-6-8(2)16-9(3)7-15-11(13)10(4)12/h5-6,9H,1,7H2,2-4H3
InChIKeyWZLKMCVQVBPDAL-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.55
Rot. Bonds7

About 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate

2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate (PubChem CID 139924913) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate.

Molecular Properties

Compound Name2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate
PubChem CID139924913
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate
SMILESC=COC=C(C)OC(C)COC(=O)C(C)=O
InChIInChI=1S/C11H16O5/c1-5-14-6-8(2)16-9(3)7-15-11(13)10(4)12/h5-6,9H,1,7H2,2-4H3
InChIKeyWZLKMCVQVBPDAL-UHFFFAOYSA-N
XLogP1.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-2-oxoacetic acid
CID 139924880
(Z)-4-[2-(1-ethenoxyprop-1-en-2-yloxy)propoxy]-4-oxobut-2-enoic acid
CID 139924844
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
2-[[(Z)-but-2-en-2-yl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512774
oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate
CID 174491978
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
1-[(E)-4-formyl-6-oxohex-2-en-2-yl]oxypropan-2-yl 2-methylprop-2-enoate
CID 58882710
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate
CID 150313177
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate?
The IUPAC name of 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate (CID 139924913) is 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate.
What is the SMILES notation for 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate?
The canonical SMILES for 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate is C=COC=C(C)OC(C)COC(=O)C(C)=O.
What is the InChIKey of 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate?
The InChIKey is WZLKMCVQVBPDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-5-14-6-8(2)16-9(3)7-15-11(13)10(4)12/h5-6,9H,1,7H2,2-4H3.
What are the key properties of 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate?
2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate has a molecular weight of 228.24 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyprop-1-en-2-yloxy)propyl 2-oxopropanoate is sourced from PubChem (CID 139924913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).