acetyl 2-methylprop-2-eneperoxoate;phosphoric acid

C6H11O8P — CID 88670012

IUPACacetyl 2-methylprop-2-eneperoxoate;phosphoric acid
SMILESC=C(C)C(=O)OOC(C)=O.O=P(O)(O)O
InChIInChI=1S/C6H8O4.H3O4P/c1-4(2)6(8)10-9-5(3)7;1-5(2,3)4/h1H2,2-3H3;(H3,1,2,3,4)
InChIKeyMWRTUZKRSJTFAD-UHFFFAOYSA-N
MW242.12 g/mol
LogP-0.34
Rot. Bonds1

About acetyl 2-methylprop-2-eneperoxoate;phosphoric acid

acetyl 2-methylprop-2-eneperoxoate;phosphoric acid (PubChem CID 88670012) has the molecular formula C6H11O8P and a molecular weight of 242.12 g/mol. Its IUPAC name is acetyl 2-methylprop-2-eneperoxoate;phosphoric acid.

Molecular Properties

Compound Nameacetyl 2-methylprop-2-eneperoxoate;phosphoric acid
PubChem CID88670012
Molecular FormulaC6H11O8P
Molecular Weight242.12 g/mol
Exact Mass242.02
IUPAC Nameacetyl 2-methylprop-2-eneperoxoate;phosphoric acid
SMILESC=C(C)C(=O)OOC(C)=O.O=P(O)(O)O
InChIInChI=1S/C6H8O4.H3O4P/c1-4(2)6(8)10-9-5(3)7;1-5(2,3)4/h1H2,2-3H3;(H3,1,2,3,4)
InChIKeyMWRTUZKRSJTFAD-UHFFFAOYSA-N
XLogP-0.34
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze acetyl 2-methylprop-2-eneperoxoate;phosphoric acid with MolForge

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

Launch Full Analysis

Related Compounds

prop-1-en-2-yl 2-methylprop-2-eneperoxoate
CID 175421471
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
tert-butyl 2-methylprop-2-eneperoxoate
CID 14092181
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate
CID 87104189
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
sodium;hydride;phosphono 2-methylprop-2-enoate
CID 174967425
acetyl ethaneperoxoate;rhodium
CID 175911498
acetyl ethaneperoxoate;propan-2-one
CID 21225532
acetyl ethaneperoxoate;ethane
CID 91004145
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
methanol;2-methylprop-2-enoic acid;phosphoric acid
CID 163792236

Frequently Asked Questions

What is the IUPAC name of acetyl 2-methylprop-2-eneperoxoate;phosphoric acid?
The IUPAC name of acetyl 2-methylprop-2-eneperoxoate;phosphoric acid (CID 88670012) is acetyl 2-methylprop-2-eneperoxoate;phosphoric acid.
What is the SMILES notation for acetyl 2-methylprop-2-eneperoxoate;phosphoric acid?
The canonical SMILES for acetyl 2-methylprop-2-eneperoxoate;phosphoric acid is C=C(C)C(=O)OOC(C)=O.O=P(O)(O)O.
What is the InChIKey of acetyl 2-methylprop-2-eneperoxoate;phosphoric acid?
The InChIKey is MWRTUZKRSJTFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4.H3O4P/c1-4(2)6(8)10-9-5(3)7;1-5(2,3)4/h1H2,2-3H3;(H3,1,2,3,4).
What are the key properties of acetyl 2-methylprop-2-eneperoxoate;phosphoric acid?
acetyl 2-methylprop-2-eneperoxoate;phosphoric acid has a molecular weight of 242.12 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-methylprop-2-eneperoxoate;phosphoric acid is sourced from PubChem (CID 88670012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).