2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

C12H20O5 — CID 161020917

IUPAC2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC(C)O
InChIInChI=1S/C7H12O3.C5H8O2/c1-5(2)7(9)10-4-6(3)8;1-4(2)5(6)7-3/h6,8H,1,4H2,2-3H3;1H2,2-3H3
InChIKeyTYIXEUDEYXVHQX-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.22
Rot. Bonds4

About 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 161020917) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID161020917
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC(C)O
InChIInChI=1S/C7H12O3.C5H8O2/c1-5(2)7(9)10-4-6(3)8;1-4(2)5(6)7-3/h6,8H,1,4H2,2-3H3;1H2,2-3H3
InChIKeyTYIXEUDEYXVHQX-UHFFFAOYSA-N
XLogP1.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (CID 161020917) is 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is TYIXEUDEYXVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C5H8O2/c1-5(2)7(9)10-4-6(3)8;1-4(2)5(6)7-3/h6,8H,1,4H2,2-3H3;1H2,2-3H3.
What are the key properties of 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 161020917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).