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

C11H16O5 — CID 175307353

IUPACmethyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
SMILESC=C(O)C(=O)OC.C=CCOC(=O)C(=C)C
InChIInChI=1S/C7H10O2.C4H6O3/c1-4-5-9-7(8)6(2)3;1-3(5)4(6)7-2/h4H,1-2,5H2,3H3;5H,1H2,2H3
InChIKeyBZXWJBVMLYKHSF-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.52
Rot. Bonds4

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

methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate (PubChem CID 175307353) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
PubChem CID175307353
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
SMILESC=C(O)C(=O)OC.C=CCOC(=O)C(=C)C
InChIInChI=1S/C7H10O2.C4H6O3/c1-4-5-9-7(8)6(2)3;1-3(5)4(6)7-2/h4H,1-2,5H2,3H3;5H,1H2,2H3
InChIKeyBZXWJBVMLYKHSF-UHFFFAOYSA-N
XLogP1.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174692194
butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate
CID 174887030
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
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CID 174791645
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-aminoethyl 3-ethyl-2-methylidenepentanoate;methyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 88724347
ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate
CID 173061128
ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate
CID 174874911
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate (CID 175307353) is methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate is C=C(O)C(=O)OC.C=CCOC(=O)C(=C)C.
What is the InChIKey of methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is BZXWJBVMLYKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C4H6O3/c1-4-5-9-7(8)6(2)3;1-3(5)4(6)7-2/h4H,1-2,5H2,3H3;5H,1H2,2H3.
What are the key properties of methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate?
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 175307353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).