methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate

C13H20O7 — CID 174692194

IUPACmethyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(O)C(=O)OC.C=CC(=O)OC
InChIInChI=1S/C5H8O2.C4H6O3.C4H6O2/c1-4(2)5(6)7-3;1-3(5)4(6)7-2;1-3-4(5)6-2/h1H2,2-3H3;5H,1H2,2H3;3H,1H2,2H3
InChIKeyGTHDIYAASUEBEK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.31
Rot. Bonds3

About methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate

methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate (PubChem CID 174692194) has the molecular formula C13H20O7 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
PubChem CID174692194
Molecular FormulaC13H20O7
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Namemethyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(O)C(=O)OC.C=CC(=O)OC
InChIInChI=1S/C5H8O2.C4H6O3.C4H6O2/c1-4(2)5(6)7-3;1-3(5)4(6)7-2;1-3-4(5)6-2/h1H2,2-3H3;5H,1H2,2H3;3H,1H2,2H3
InChIKeyGTHDIYAASUEBEK-UHFFFAOYSA-N
XLogP1.31
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
CID 173410542
(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174822092
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
buta-1,3-diene;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 121332885
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
2-chlorobuta-1,3-diene;methyl 2-methylprop-2-enoate
CID 86748634
pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175208053
dodecane-1-thiol;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174301392
methyl 2-methylprop-2-enoate;tetrakis(prop-2-enoate);silicon(4+)
CID 157143230
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The IUPAC name of methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate (CID 174692194) is methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate.
What is the SMILES notation for methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The canonical SMILES for methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate is C=C(C)C(=O)OC.C=C(O)C(=O)OC.C=CC(=O)OC.
What is the InChIKey of methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The InChIKey is GTHDIYAASUEBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H6O3.C4H6O2/c1-4(2)5(6)7-3;1-3(5)4(6)7-2;1-3-4(5)6-2/h1H2,2-3H3;5H,1H2,2H3;3H,1H2,2H3.
What are the key properties of methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate?
methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate has a molecular weight of 288.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate is sourced from PubChem (CID 174692194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).