2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate

C11H16O5 — CID 174631406

IUPAC2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)OC(C)C1CO1
InChIInChI=1S/C7H10O3.C4H6O2/c1-3-7(8)10-5(2)6-4-9-6;1-3(2)4(5)6/h3,5-6H,1,4H2,2H3;1H2,2H3,(H,5,6)
InChIKeyMZRLJWIRTYABFI-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.15
Rot. Bonds4

About 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate

2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate (PubChem CID 174631406) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
PubChem CID174631406
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)OC(C)C1CO1
InChIInChI=1S/C7H10O3.C4H6O2/c1-3-7(8)10-5(2)6-4-9-6;1-3(2)4(5)6/h3,5-6H,1,4H2,2H3;1H2,2H3,(H,5,6)
InChIKeyMZRLJWIRTYABFI-UHFFFAOYSA-N
XLogP1.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

but-2-enyl prop-2-enoate;1-(oxiran-2-yl)ethyl prop-2-enoate;propa-1,2-diene
CID 174889097
2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid
CID 151015738
1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate
CID 135235608
1-morpholin-2-ylethyl prop-2-enoate
CID 22556289
2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
CID 159532508
oxiran-2-ylmethanol;2-prop-2-enoyloxypropyl 2-methylprop-2-enoate
CID 174491978
dimethyl-[2-methylprop-2-enoyloxy(oxiran-2-yl)methyl]-prop-2-enoylazanium
CID 87997397
1-(2,4-difluorooxetan-3-yl)ethyl prop-2-enoate
CID 175032456
ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 174974032
cyclohexane-1,4-diol;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 66888079
1-(1-methylpyrrolidin-2-yl)ethyl prop-2-enoate
CID 175306856
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 157375556

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate (CID 174631406) is 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate is C=C(C)C(=O)O.C=CC(=O)OC(C)C1CO1.
What is the InChIKey of 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate?
The InChIKey is MZRLJWIRTYABFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H6O2/c1-3-7(8)10-5(2)6-4-9-6;1-3(2)4(5)6/h3,5-6H,1,4H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate?
2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 174631406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).