methyl 2-methylprop-2-enoate;oxiran-2-ol

C7H12O4 — CID 174515901

IUPACmethyl 2-methylprop-2-enoate;oxiran-2-ol
SMILESC=C(C)C(=O)OC.OC1CO1
InChIInChI=1S/C5H8O2.C2H4O2/c1-4(2)5(6)7-3;3-2-1-4-2/h1H2,2-3H3;2-3H,1H2
InChIKeyFYIKGEDMZMWFGR-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.07
Rot. Bonds1

About methyl 2-methylprop-2-enoate;oxiran-2-ol

methyl 2-methylprop-2-enoate;oxiran-2-ol (PubChem CID 174515901) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;oxiran-2-ol.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;oxiran-2-ol
PubChem CID174515901
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethyl 2-methylprop-2-enoate;oxiran-2-ol
SMILESC=C(C)C(=O)OC.OC1CO1
InChIInChI=1S/C5H8O2.C2H4O2/c1-4(2)5(6)7-3;3-2-1-4-2/h1H2,2-3H3;2-3H,1H2
InChIKeyFYIKGEDMZMWFGR-UHFFFAOYSA-N
XLogP0.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.07
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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;oxiran-2-ol?
The IUPAC name of methyl 2-methylprop-2-enoate;oxiran-2-ol (CID 174515901) is methyl 2-methylprop-2-enoate;oxiran-2-ol.
What is the SMILES notation for methyl 2-methylprop-2-enoate;oxiran-2-ol?
The canonical SMILES for methyl 2-methylprop-2-enoate;oxiran-2-ol is C=C(C)C(=O)OC.OC1CO1.
What is the InChIKey of methyl 2-methylprop-2-enoate;oxiran-2-ol?
The InChIKey is FYIKGEDMZMWFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H4O2/c1-4(2)5(6)7-3;3-2-1-4-2/h1H2,2-3H3;2-3H,1H2.
What are the key properties of methyl 2-methylprop-2-enoate;oxiran-2-ol?
methyl 2-methylprop-2-enoate;oxiran-2-ol has a molecular weight of 160.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;oxiran-2-ol is sourced from PubChem (CID 174515901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).