2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid

C10H10O6 — CID 154089155

IUPAC2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid
SMILESC=CC(=O)OC=C(OC(=O)C(=C)C)C(=O)O
InChIInChI=1S/C10H10O6/c1-4-8(11)15-5-7(9(12)13)16-10(14)6(2)3/h4-5H,1-2H2,3H3,(H,12,13)
InChIKeyVTDBOYPERXQMIY-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.76
Rot. Bonds5

About 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid

2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid (PubChem CID 154089155) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid
PubChem CID154089155
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid
SMILESC=CC(=O)OC=C(OC(=O)C(=C)C)C(=O)O
InChIInChI=1S/C10H10O6/c1-4-8(11)15-5-7(9(12)13)16-10(14)6(2)3/h4-5H,1-2H2,3H3,(H,12,13)
InChIKeyVTDBOYPERXQMIY-UHFFFAOYSA-N
XLogP0.76
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid (CID 154089155) is 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid is C=CC(=O)OC=C(OC(=O)C(=C)C)C(=O)O.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid?
The InChIKey is VTDBOYPERXQMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-4-8(11)15-5-7(9(12)13)16-10(14)6(2)3/h4-5H,1-2H2,3H3,(H,12,13).
What are the key properties of 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid?
2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid has a molecular weight of 226.18 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid is sourced from PubChem (CID 154089155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).