methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

C9H14O5 — CID 19426612

IUPACmethyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
SMILESC=C(C)C(=O)OC(C)(CO)C(=O)OC
InChIInChI=1S/C9H14O5/c1-6(2)7(11)14-9(3,5-10)8(12)13-4/h10H,1,5H2,2-4H3
InChIKeyAGFNGRGLZOEUFN-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.03
Rot. Bonds4

About methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (PubChem CID 19426612) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
PubChem CID19426612
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Namemethyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
SMILESC=C(C)C(=O)OC(C)(CO)C(=O)OC
InChIInChI=1S/C9H14O5/c1-6(2)7(11)14-9(3,5-10)8(12)13-4/h10H,1,5H2,2-4H3
InChIKeyAGFNGRGLZOEUFN-UHFFFAOYSA-N
XLogP0.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.03
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 methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The IUPAC name of methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (CID 19426612) is methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is C=C(C)C(=O)OC(C)(CO)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The InChIKey is AGFNGRGLZOEUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-6(2)7(11)14-9(3,5-10)8(12)13-4/h10H,1,5H2,2-4H3.
What are the key properties of methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate has a molecular weight of 202.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is sourced from PubChem (CID 19426612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).