2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid

C8H10O6 — CID 173309615

IUPAC2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid
SMILESC=C(C)C(=O)OC(C)(C(=O)O)C(=O)O
InChIInChI=1S/C8H10O6/c1-4(2)5(9)14-8(3,6(10)11)7(12)13/h1H2,2-3H3,(H,10,11)(H,12,13)
InChIKeyRVTMPMGUGDSUMN-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.03
Rot. Bonds4

About 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid

2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid (PubChem CID 173309615) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid
PubChem CID173309615
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid
SMILESC=C(C)C(=O)OC(C)(C(=O)O)C(=O)O
InChIInChI=1S/C8H10O6/c1-4(2)5(9)14-8(3,6(10)11)7(12)13/h1H2,2-3H3,(H,10,11)(H,12,13)
InChIKeyRVTMPMGUGDSUMN-UHFFFAOYSA-N
XLogP0.03
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid?
The IUPAC name of 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid (CID 173309615) is 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid.
What is the SMILES notation for 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid?
The canonical SMILES for 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid is C=C(C)C(=O)OC(C)(C(=O)O)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid?
The InChIKey is RVTMPMGUGDSUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-4(2)5(9)14-8(3,6(10)11)7(12)13/h1H2,2-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid?
2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid has a molecular weight of 202.16 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-2-enoyloxy)propanedioic acid is sourced from PubChem (CID 173309615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).