oxiran-2-yl (E)-2-methylbut-2-enoate

C7H10O3 — CID 151801288

IUPACoxiran-2-yl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC1CO1
InChIInChI=1S/C7H10O3/c1-3-5(2)7(8)10-6-4-9-6/h3,6H,4H2,1-2H3/b5-3+
InChIKeyRYQYMPKQXSLGTP-HWKANZROSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds2

About oxiran-2-yl (E)-2-methylbut-2-enoate

oxiran-2-yl (E)-2-methylbut-2-enoate (PubChem CID 151801288) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is oxiran-2-yl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Nameoxiran-2-yl (E)-2-methylbut-2-enoate
PubChem CID151801288
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameoxiran-2-yl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC1CO1
InChIInChI=1S/C7H10O3/c1-3-5(2)7(8)10-6-4-9-6/h3,6H,4H2,1-2H3/b5-3+
InChIKeyRYQYMPKQXSLGTP-HWKANZROSA-N
XLogP0.85
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
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-yl (E)-2-methylbut-2-enoate?
The IUPAC name of oxiran-2-yl (E)-2-methylbut-2-enoate (CID 151801288) is oxiran-2-yl (E)-2-methylbut-2-enoate.
What is the SMILES notation for oxiran-2-yl (E)-2-methylbut-2-enoate?
The canonical SMILES for oxiran-2-yl (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OC1CO1.
What is the InChIKey of oxiran-2-yl (E)-2-methylbut-2-enoate?
The InChIKey is RYQYMPKQXSLGTP-HWKANZROSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-5(2)7(8)10-6-4-9-6/h3,6H,4H2,1-2H3/b5-3+.
What are the key properties of oxiran-2-yl (E)-2-methylbut-2-enoate?
oxiran-2-yl (E)-2-methylbut-2-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 151801288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).