methanol;2-methylprop-2-enoic acid;phosphoric acid

C6H17O8P — CID 163792236

IUPACmethanol;2-methylprop-2-enoic acid;phosphoric acid
SMILESC=C(C)C(=O)O.CO.CO.O=P(O)(O)O
InChIInChI=1S/C4H6O2.2CH4O.H3O4P/c1-3(2)4(5)6;2*1-2;1-5(2,3)4/h1H2,2H3,(H,5,6);2*2H,1H3;(H3,1,2,3,4)
InChIKeyMXUFYOGURUKWKK-UHFFFAOYSA-N
MW248.17 g/mol
LogP-1.06
Rot. Bonds1

About methanol;2-methylprop-2-enoic acid;phosphoric acid

methanol;2-methylprop-2-enoic acid;phosphoric acid (PubChem CID 163792236) has the molecular formula C6H17O8P and a molecular weight of 248.17 g/mol. Its IUPAC name is methanol;2-methylprop-2-enoic acid;phosphoric acid.

Molecular Properties

Compound Namemethanol;2-methylprop-2-enoic acid;phosphoric acid
PubChem CID163792236
Molecular FormulaC6H17O8P
Molecular Weight248.17 g/mol
Exact Mass248.07
IUPAC Namemethanol;2-methylprop-2-enoic acid;phosphoric acid
SMILESC=C(C)C(=O)O.CO.CO.O=P(O)(O)O
InChIInChI=1S/C4H6O2.2CH4O.H3O4P/c1-3(2)4(5)6;2*1-2;1-5(2,3)4/h1H2,2H3,(H,5,6);2*2H,1H3;(H3,1,2,3,4)
InChIKeyMXUFYOGURUKWKK-UHFFFAOYSA-N
XLogP-1.06
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.17
LogP ≤ 5-1.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 175511919
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
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CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063

Frequently Asked Questions

What is the IUPAC name of methanol;2-methylprop-2-enoic acid;phosphoric acid?
The IUPAC name of methanol;2-methylprop-2-enoic acid;phosphoric acid (CID 163792236) is methanol;2-methylprop-2-enoic acid;phosphoric acid.
What is the SMILES notation for methanol;2-methylprop-2-enoic acid;phosphoric acid?
The canonical SMILES for methanol;2-methylprop-2-enoic acid;phosphoric acid is C=C(C)C(=O)O.CO.CO.O=P(O)(O)O.
What is the InChIKey of methanol;2-methylprop-2-enoic acid;phosphoric acid?
The InChIKey is MXUFYOGURUKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.2CH4O.H3O4P/c1-3(2)4(5)6;2*1-2;1-5(2,3)4/h1H2,2H3,(H,5,6);2*2H,1H3;(H3,1,2,3,4).
What are the key properties of methanol;2-methylprop-2-enoic acid;phosphoric acid?
methanol;2-methylprop-2-enoic acid;phosphoric acid has a molecular weight of 248.17 g/mol, XLogP of -1.06, 1 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylprop-2-enoic acid;phosphoric acid is sourced from PubChem (CID 163792236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).