sodium ethyl 2-methylprop-2-enoate

C6H10NaO2+ — CID 23346885

IUPACsodium ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.[Na+]
InChIInChI=1S/C6H10O2.Na/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;/q;+1
InChIKeyZDOJDKZMTDBOFB-UHFFFAOYSA-N
MW137.13 g/mol
LogP-1.87
Rot. Bonds2

About sodium ethyl 2-methylprop-2-enoate

sodium ethyl 2-methylprop-2-enoate (PubChem CID 23346885) has the molecular formula C6H10NaO2+ and a molecular weight of 137.13 g/mol. Its IUPAC name is sodium ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namesodium ethyl 2-methylprop-2-enoate
PubChem CID23346885
Molecular FormulaC6H10NaO2+
Molecular Weight137.13 g/mol
Exact Mass137.06
IUPAC Namesodium ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.[Na+]
InChIInChI=1S/C6H10O2.Na/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;/q;+1
InChIKeyZDOJDKZMTDBOFB-UHFFFAOYSA-N
XLogP-1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethyl 2-methylprop-2-enoate
CID 130475774
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
ethyl 2-methylprop-2-enoate;isocyanic acid;2-methylprop-2-enoic acid
CID 156565147

Frequently Asked Questions

What is the IUPAC name of sodium ethyl 2-methylprop-2-enoate?
The IUPAC name of sodium ethyl 2-methylprop-2-enoate (CID 23346885) is sodium ethyl 2-methylprop-2-enoate.
What is the SMILES notation for sodium ethyl 2-methylprop-2-enoate?
The canonical SMILES for sodium ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.[Na+].
What is the InChIKey of sodium ethyl 2-methylprop-2-enoate?
The InChIKey is ZDOJDKZMTDBOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.Na/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;/q;+1.
What are the key properties of sodium ethyl 2-methylprop-2-enoate?
sodium ethyl 2-methylprop-2-enoate has a molecular weight of 137.13 g/mol, XLogP of -1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23346885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).