2-methylprop-2-enoyloxymethanetricarboxylic acid

C8H8O8 — CID 175189147

IUPAC2-methylprop-2-enoyloxymethanetricarboxylic acid
SMILESC=C(C)C(=O)OC(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C8H8O8/c1-3(2)4(9)16-8(5(10)11,6(12)13)7(14)15/h1H2,2H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyBDZNFJPMIOZKAD-UHFFFAOYSA-N
MW232.14 g/mol
LogP-0.90
Rot. Bonds5

About 2-methylprop-2-enoyloxymethanetricarboxylic acid

2-methylprop-2-enoyloxymethanetricarboxylic acid (PubChem CID 175189147) has the molecular formula C8H8O8 and a molecular weight of 232.14 g/mol. Its IUPAC name is 2-methylprop-2-enoyloxymethanetricarboxylic acid.

Molecular Properties

Compound Name2-methylprop-2-enoyloxymethanetricarboxylic acid
PubChem CID175189147
Molecular FormulaC8H8O8
Molecular Weight232.14 g/mol
Exact Mass232.02
IUPAC Name2-methylprop-2-enoyloxymethanetricarboxylic acid
SMILESC=C(C)C(=O)OC(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C8H8O8/c1-3(2)4(9)16-8(5(10)11,6(12)13)7(14)15/h1H2,2H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyBDZNFJPMIOZKAD-UHFFFAOYSA-N
XLogP-0.90
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-methylprop-2-enoyloxymethanetricarboxylic acid?
The IUPAC name of 2-methylprop-2-enoyloxymethanetricarboxylic acid (CID 175189147) is 2-methylprop-2-enoyloxymethanetricarboxylic acid.
What is the SMILES notation for 2-methylprop-2-enoyloxymethanetricarboxylic acid?
The canonical SMILES for 2-methylprop-2-enoyloxymethanetricarboxylic acid is C=C(C)C(=O)OC(C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of 2-methylprop-2-enoyloxymethanetricarboxylic acid?
The InChIKey is BDZNFJPMIOZKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O8/c1-3(2)4(9)16-8(5(10)11,6(12)13)7(14)15/h1H2,2H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-methylprop-2-enoyloxymethanetricarboxylic acid?
2-methylprop-2-enoyloxymethanetricarboxylic acid has a molecular weight of 232.14 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyloxymethanetricarboxylic acid is sourced from PubChem (CID 175189147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).