2-methylidene-3-prop-2-enylbutanediperoxoic acid

C8H10O6 — CID 88750956

IUPAC2-methylidene-3-prop-2-enylbutanediperoxoic acid
SMILESC=CCC(C(=C)C(=O)OO)C(=O)OO
InChIInChI=1S/C8H10O6/c1-3-4-6(8(10)14-12)5(2)7(9)13-11/h3,6,11-12H,1-2,4H2
InChIKeyQZKMZAHNSJNPPR-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.77
Rot. Bonds5

About 2-methylidene-3-prop-2-enylbutanediperoxoic acid

2-methylidene-3-prop-2-enylbutanediperoxoic acid (PubChem CID 88750956) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-methylidene-3-prop-2-enylbutanediperoxoic acid.

Molecular Properties

Compound Name2-methylidene-3-prop-2-enylbutanediperoxoic acid
PubChem CID88750956
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name2-methylidene-3-prop-2-enylbutanediperoxoic acid
SMILESC=CCC(C(=C)C(=O)OO)C(=O)OO
InChIInChI=1S/C8H10O6/c1-3-4-6(8(10)14-12)5(2)7(9)13-11/h3,6,11-12H,1-2,4H2
InChIKeyQZKMZAHNSJNPPR-UHFFFAOYSA-N
XLogP0.77
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-methylidene-3-prop-2-enylbutanediperoxoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-prop-2-enylbutanediperoxoic acid?
The IUPAC name of 2-methylidene-3-prop-2-enylbutanediperoxoic acid (CID 88750956) is 2-methylidene-3-prop-2-enylbutanediperoxoic acid.
What is the SMILES notation for 2-methylidene-3-prop-2-enylbutanediperoxoic acid?
The canonical SMILES for 2-methylidene-3-prop-2-enylbutanediperoxoic acid is C=CCC(C(=C)C(=O)OO)C(=O)OO.
What is the InChIKey of 2-methylidene-3-prop-2-enylbutanediperoxoic acid?
The InChIKey is QZKMZAHNSJNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-3-4-6(8(10)14-12)5(2)7(9)13-11/h3,6,11-12H,1-2,4H2.
What are the key properties of 2-methylidene-3-prop-2-enylbutanediperoxoic acid?
2-methylidene-3-prop-2-enylbutanediperoxoic acid has a molecular weight of 202.16 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-prop-2-enylbutanediperoxoic acid is sourced from PubChem (CID 88750956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).