2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate

C12H18O6 — CID 57147828

IUPAC2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate
SMILESC=CCOC(C)C(=O)OOC(=O)C(C)OCC=C
InChIInChI=1S/C12H18O6/c1-5-7-15-9(3)11(13)17-18-12(14)10(4)16-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyPEKFPNCLGASEON-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.17
Rot. Bonds8

About 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate

2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate (PubChem CID 57147828) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate.

Molecular Properties

Compound Name2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate
PubChem CID57147828
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate
SMILESC=CCOC(C)C(=O)OOC(=O)C(C)OCC=C
InChIInChI=1S/C12H18O6/c1-5-7-15-9(3)11(13)17-18-12(14)10(4)16-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyPEKFPNCLGASEON-UHFFFAOYSA-N
XLogP1.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate 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-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate?
The IUPAC name of 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate (CID 57147828) is 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate.
What is the SMILES notation for 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate?
The canonical SMILES for 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate is C=CCOC(C)C(=O)OOC(=O)C(C)OCC=C.
What is the InChIKey of 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate?
The InChIKey is PEKFPNCLGASEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6/c1-5-7-15-9(3)11(13)17-18-12(14)10(4)16-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate?
2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate has a molecular weight of 258.27 g/mol, XLogP of 1.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxypropanoyl 2-prop-2-enoxypropaneperoxoate is sourced from PubChem (CID 57147828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).