dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate

C5H8K2O10S2 — CID 174899056

IUPACdipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate
SMILESC=C(C)C(=O)OC.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H8O2.2K.H2O8S2/c1-4(2)5(6)7-3;;;1-9(2,3)7-8-10(4,5)6/h1H2,2-3H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2
InChIKeyWVVTUXVKDWJCBP-UHFFFAOYSA-L
MW370.44 g/mol
LogP-7.40
Rot. Bonds4

About dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate

dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate (PubChem CID 174899056) has the molecular formula C5H8K2O10S2 and a molecular weight of 370.44 g/mol. Its IUPAC name is dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate.

Molecular Properties

Compound Namedipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate
PubChem CID174899056
Molecular FormulaC5H8K2O10S2
Molecular Weight370.44 g/mol
Exact Mass369.88
IUPAC Namedipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate
SMILESC=C(C)C(=O)OC.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H8O2.2K.H2O8S2/c1-4(2)5(6)7-3;;;1-9(2,3)7-8-10(4,5)6/h1H2,2-3H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2
InChIKeyWVVTUXVKDWJCBP-UHFFFAOYSA-L
XLogP-7.40
TPSA159.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 5-7.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199
methyl 2-methylprop-2-enoate;tribromobismuthane
CID 88520030

Frequently Asked Questions

What is the IUPAC name of dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate?
The IUPAC name of dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate (CID 174899056) is dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate.
What is the SMILES notation for dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate?
The canonical SMILES for dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate is C=C(C)C(=O)OC.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate?
The InChIKey is WVVTUXVKDWJCBP-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O2.2K.H2O8S2/c1-4(2)5(6)7-3;;;1-9(2,3)7-8-10(4,5)6/h1H2,2-3H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2.
What are the key properties of dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate?
dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate has a molecular weight of 370.44 g/mol, XLogP of -7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;methyl 2-methylprop-2-enoate;sulfonatooxy sulfate is sourced from PubChem (CID 174899056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).