methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate

C11H16O5 — CID 174793622

IUPACmethyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate
SMILESC=C(CC1CO1)C(=O)OC.C=CC(=O)OC
InChIInChI=1S/C7H10O3.C4H6O2/c1-5(7(8)9-2)3-6-4-10-6;1-3-4(5)6-2/h6H,1,3-4H2,2H3;3H,1H2,2H3
InChIKeyKANWKGGBUGKLOD-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.85
Rot. Bonds4

About methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate

methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate (PubChem CID 174793622) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate
PubChem CID174793622
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate
SMILESC=C(CC1CO1)C(=O)OC.C=CC(=O)OC
InChIInChI=1S/C7H10O3.C4H6O2/c1-5(7(8)9-2)3-6-4-10-6;1-3-4(5)6-2/h6H,1,3-4H2,2H3;3H,1H2,2H3
InChIKeyKANWKGGBUGKLOD-UHFFFAOYSA-N
XLogP0.85
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

diethyl (Z)-but-2-enedioate;methyl 2-(oxiran-2-ylmethyl)prop-2-enoate
CID 174899415
methyl 4-hydroxy-2-methylidenepentanoate;methyl 2-(oxiran-2-ylmethyl)prop-2-enoate
CID 174788153
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 157375556
2-(oxiran-2-ylmethyl)prop-2-enoyl 2-methylbut-2-enoate
CID 173148627
butyl 2-(oxiran-2-ylmethyl)prop-2-enoate;prop-2-enoic acid
CID 175434098
methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate
CID 54352126
2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate
CID 88834944
bis(methyl prop-2-enoate);propane
CID 160610529
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174692194
azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
CID 173410542

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate?
The IUPAC name of methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate (CID 174793622) is methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate.
What is the SMILES notation for methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate?
The canonical SMILES for methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate is C=C(CC1CO1)C(=O)OC.C=CC(=O)OC.
What is the InChIKey of methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate?
The InChIKey is KANWKGGBUGKLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H6O2/c1-5(7(8)9-2)3-6-4-10-6;1-3-4(5)6-2/h6H,1,3-4H2,2H3;3H,1H2,2H3.
What are the key properties of methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate?
methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate is sourced from PubChem (CID 174793622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).