2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate

C13H20O4 — CID 88834944

IUPAC2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=CC1(OCC2CO2)CC1
InChIInChI=1S/C8H12O2.C5H8O2/c1-2-8(3-4-8)10-6-7-5-9-7;1-4(2)5(6)7-3/h2,7H,1,3-6H2;1H2,2-3H3
InChIKeyUFVBEXSVSSIZOV-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.86
Rot. Bonds5

About 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate

2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate (PubChem CID 88834944) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate
PubChem CID88834944
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=CC1(OCC2CO2)CC1
InChIInChI=1S/C8H12O2.C5H8O2/c1-2-8(3-4-8)10-6-7-5-9-7;1-4(2)5(6)7-3/h2,7H,1,3-6H2;1H2,2-3H3
InChIKeyUFVBEXSVSSIZOV-UHFFFAOYSA-N
XLogP1.86
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 157375556
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methyl 2-methylprop-2-enoate;oxiran-2-ol
CID 174515901
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate
CID 174793622
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
oxiran-2-ylmethyl 2-methylprop-2-eneperoxoate
CID 18326856
6-hydroxy-2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 162207786
2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
CID 175461208

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate (CID 88834944) is 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=CC1(OCC2CO2)CC1.
What is the InChIKey of 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate?
The InChIKey is UFVBEXSVSSIZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C5H8O2/c1-2-8(3-4-8)10-6-7-5-9-7;1-4(2)5(6)7-3/h2,7H,1,3-6H2;1H2,2-3H3.
What are the key properties of 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate?
2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 88834944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).