sodium;hydride;phosphono 2-methylprop-2-enoate

C4H8NaO5P — CID 174967425

IUPACsodium;hydride;phosphono 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C4H7O5P.Na.H/c1-3(2)4(5)9-10(6,7)8;;/h1H2,2H3,(H2,6,7,8);;/q;+1;-1
InChIKeyFZDIHEMZEJGGHM-UHFFFAOYSA-N
MW190.07 g/mol
LogP-2.69
Rot. Bonds2

About sodium;hydride;phosphono 2-methylprop-2-enoate

sodium;hydride;phosphono 2-methylprop-2-enoate (PubChem CID 174967425) has the molecular formula C4H8NaO5P and a molecular weight of 190.07 g/mol. Its IUPAC name is sodium;hydride;phosphono 2-methylprop-2-enoate.

Molecular Properties

Compound Namesodium;hydride;phosphono 2-methylprop-2-enoate
PubChem CID174967425
Molecular FormulaC4H8NaO5P
Molecular Weight190.07 g/mol
Exact Mass190.00
IUPAC Namesodium;hydride;phosphono 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C4H7O5P.Na.H/c1-3(2)4(5)9-10(6,7)8;;/h1H2,2H3,(H2,6,7,8);;/q;+1;-1
InChIKeyFZDIHEMZEJGGHM-UHFFFAOYSA-N
XLogP-2.69
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 5-2.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate
CID 87104189
sodium;acetyl 2-methylprop-2-enoate;hydride
CID 174757857
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
acetyl 2-methylprop-2-eneperoxoate;phosphoric acid
CID 88670012
2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
CID 123217375
[(3-chloro-2-hydroxypropoxy)-hydroxyphosphoryl] 2-methylprop-2-enoate
CID 87407373
methoxy(2-methylprop-2-enoyloxymethyl)phosphinic acid
CID 155926813
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
CID 22259480
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
phosphono 3-ethyl-2-methylpent-2-enoate
CID 154158605

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phosphono 2-methylprop-2-enoate?
The IUPAC name of sodium;hydride;phosphono 2-methylprop-2-enoate (CID 174967425) is sodium;hydride;phosphono 2-methylprop-2-enoate.
What is the SMILES notation for sodium;hydride;phosphono 2-methylprop-2-enoate?
The canonical SMILES for sodium;hydride;phosphono 2-methylprop-2-enoate is C=C(C)C(=O)OP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;phosphono 2-methylprop-2-enoate?
The InChIKey is FZDIHEMZEJGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O5P.Na.H/c1-3(2)4(5)9-10(6,7)8;;/h1H2,2H3,(H2,6,7,8);;/q;+1;-1.
What are the key properties of sodium;hydride;phosphono 2-methylprop-2-enoate?
sodium;hydride;phosphono 2-methylprop-2-enoate has a molecular weight of 190.07 g/mol, XLogP of -2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phosphono 2-methylprop-2-enoate is sourced from PubChem (CID 174967425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).