(2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate

C10H12O6 — CID 19748653

IUPAC(2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate
SMILESC=COC(=O)COC(=O)C(C)OC(=O)C=C
InChIInChI=1S/C10H12O6/c1-4-8(11)16-7(3)10(13)15-6-9(12)14-5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyHRZMGRRKSAWLPB-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.33
Rot. Bonds6

About (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate

(2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate (PubChem CID 19748653) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name(2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate
PubChem CID19748653
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name(2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate
SMILESC=COC(=O)COC(=O)C(C)OC(=O)C=C
InChIInChI=1S/C10H12O6/c1-4-8(11)16-7(3)10(13)15-6-9(12)14-5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyHRZMGRRKSAWLPB-UHFFFAOYSA-N
XLogP0.33
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
2-bromoethyl 2-prop-2-enoyloxypropanoate
CID 121344446
[diacetyloxy(methyl)silyl] 2-prop-2-enoyloxypropanoate
CID 151148002
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate
CID 59601723
lithium 2-prop-2-enoyloxypropanoate
CID 157433958
3,5-dioxohexan-2-yl prop-2-enoate
CID 20532556
3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid
CID 170162415
[1-(1-ethenoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] (2R)-2-aminopropanoate
CID 163510228
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082

Frequently Asked Questions

What is the IUPAC name of (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate?
The IUPAC name of (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate (CID 19748653) is (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate.
What is the SMILES notation for (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate?
The canonical SMILES for (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate is C=COC(=O)COC(=O)C(C)OC(=O)C=C.
What is the InChIKey of (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate?
The InChIKey is HRZMGRRKSAWLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-4-8(11)16-7(3)10(13)15-6-9(12)14-5-2/h4-5,7H,1-2,6H2,3H3.
What are the key properties of (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate?
(2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate has a molecular weight of 228.20 g/mol, XLogP of 0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenoxy-2-oxoethyl) 2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 19748653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).