oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate

C15H16O3 — CID 139607372

IUPACoxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
SMILESC=Cc1ccccc1/C=C(\C)C(=O)OCC1CO1
InChIInChI=1S/C15H16O3/c1-3-12-6-4-5-7-13(12)8-11(2)15(16)18-10-14-9-17-14/h3-8,14H,1,9-10H2,2H3/b11-8+
InChIKeyHSMOITAQMYKIGF-DHZHZOJOSA-N
MW244.29 g/mol
LogP2.67
Rot. Bonds5

About oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate

oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate (PubChem CID 139607372) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
PubChem CID139607372
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameoxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
SMILESC=Cc1ccccc1/C=C(\C)C(=O)OCC1CO1
InChIInChI=1S/C15H16O3/c1-3-12-6-4-5-7-13(12)8-11(2)15(16)18-10-14-9-17-14/h3-8,14H,1,9-10H2,2H3/b11-8+
InChIKeyHSMOITAQMYKIGF-DHZHZOJOSA-N
XLogP2.67
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?
The IUPAC name of oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate (CID 139607372) is oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate is C=Cc1ccccc1/C=C(\C)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?
The InChIKey is HSMOITAQMYKIGF-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-12-6-4-5-7-13(12)8-11(2)15(16)18-10-14-9-17-14/h3-8,14H,1,9-10H2,2H3/b11-8+.
What are the key properties of oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?
oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 139607372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).