sodium;ethene;2-methylprop-2-enoate

C6H9NaO2 — CID 23688925

IUPACsodium;ethene;2-methylprop-2-enoate
SMILESC=C.C=C(C)C(=O)[O-].[Na+]
InChIInChI=1S/C4H6O2.C2H4.Na/c1-3(2)4(5)6;1-2;/h1H2,2H3,(H,5,6);1-2H2;/q;;+1/p-1
InChIKeyMXNUCYGENRZCBO-UHFFFAOYSA-M
MW136.13 g/mol
LogP-2.88
Rot. Bonds1

About sodium;ethene;2-methylprop-2-enoate

sodium;ethene;2-methylprop-2-enoate (PubChem CID 23688925) has the molecular formula C6H9NaO2 and a molecular weight of 136.13 g/mol. Its IUPAC name is sodium;ethene;2-methylprop-2-enoate.

Molecular Properties

Compound Namesodium;ethene;2-methylprop-2-enoate
PubChem CID23688925
Molecular FormulaC6H9NaO2
Molecular Weight136.13 g/mol
Exact Mass136.05
IUPAC Namesodium;ethene;2-methylprop-2-enoate
SMILESC=C.C=C(C)C(=O)[O-].[Na+]
InChIInChI=1S/C4H6O2.C2H4.Na/c1-3(2)4(5)6;1-2;/h1H2,2H3,(H,5,6);1-2H2;/q;;+1/p-1
InChIKeyMXNUCYGENRZCBO-UHFFFAOYSA-M
XLogP-2.88
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoate
CID 19005746
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
bis(2-methylprop-2-enoate);samarium
CID 175299700
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
calcium;2-methylprop-2-enoate;chloride
CID 174912380
CID 159432817
CID 159432817
tris(cyclododecane);bis(2-methylprop-2-enoate)
CID 22328247
pentasodium;ethene;pentaacetate
CID 172708449
2-methylprop-2-enoate;trifluoromethane
CID 158491697

Frequently Asked Questions

What is the IUPAC name of sodium;ethene;2-methylprop-2-enoate?
The IUPAC name of sodium;ethene;2-methylprop-2-enoate (CID 23688925) is sodium;ethene;2-methylprop-2-enoate.
What is the SMILES notation for sodium;ethene;2-methylprop-2-enoate?
The canonical SMILES for sodium;ethene;2-methylprop-2-enoate is C=C.C=C(C)C(=O)[O-].[Na+].
What is the InChIKey of sodium;ethene;2-methylprop-2-enoate?
The InChIKey is MXNUCYGENRZCBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.C2H4.Na/c1-3(2)4(5)6;1-2;/h1H2,2H3,(H,5,6);1-2H2;/q;;+1/p-1.
What are the key properties of sodium;ethene;2-methylprop-2-enoate?
sodium;ethene;2-methylprop-2-enoate has a molecular weight of 136.13 g/mol, XLogP of -2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethene;2-methylprop-2-enoate is sourced from PubChem (CID 23688925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).