sodium ethyl methyl phosphate

C3H8NaO4P — CID 134607083

IUPACsodium ethyl methyl phosphate
SMILESCCOP(=O)([O-])OC.[Na+]
InChIInChI=1S/C3H9O4P.Na/c1-3-7-8(4,5)6-2;/h3H2,1-2H3,(H,4,5);/q;+1/p-1
InChIKeyPVKOXDVFIUFNCS-UHFFFAOYSA-M
MW162.06 g/mol
LogP-2.86
Rot. Bonds3

About sodium ethyl methyl phosphate

sodium ethyl methyl phosphate (PubChem CID 134607083) has the molecular formula C3H8NaO4P and a molecular weight of 162.06 g/mol. Its IUPAC name is sodium ethyl methyl phosphate.

Molecular Properties

Compound Namesodium ethyl methyl phosphate
PubChem CID134607083
Molecular FormulaC3H8NaO4P
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Namesodium ethyl methyl phosphate
SMILESCCOP(=O)([O-])OC.[Na+]
InChIInChI=1S/C3H9O4P.Na/c1-3-7-8(4,5)6-2;/h3H2,1-2H3,(H,4,5);/q;+1/p-1
InChIKeyPVKOXDVFIUFNCS-UHFFFAOYSA-M
XLogP-2.86
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 5-2.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium bis(diethyl phosphate)
CID 57370561
copper bis(diethyl phosphate)
CID 23448356
ethyl methyl phosphate;ethyl sulfite;methane
CID 158276918
ethyl methyl phosphate;tetrapentylphosphanium
CID 89312416
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
barium(2+);ethyl phosphate
CID 12691393
aminomethyl methyl phosphate
CID 123377325
ethyl hydroxymethyl phosphate
CID 153073426
1-ethyl-3-methylimidazol-3-ium;ethyl methyl phosphate
CID 175197443
ethyl phosphate;N-methylmethanamine
CID 19985438
heptyl methyl phosphate
CID 22497569

Frequently Asked Questions

What is the IUPAC name of sodium ethyl methyl phosphate?
The IUPAC name of sodium ethyl methyl phosphate (CID 134607083) is sodium ethyl methyl phosphate.
What is the SMILES notation for sodium ethyl methyl phosphate?
The canonical SMILES for sodium ethyl methyl phosphate is CCOP(=O)([O-])OC.[Na+].
What is the InChIKey of sodium ethyl methyl phosphate?
The InChIKey is PVKOXDVFIUFNCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9O4P.Na/c1-3-7-8(4,5)6-2;/h3H2,1-2H3,(H,4,5);/q;+1/p-1.
What are the key properties of sodium ethyl methyl phosphate?
sodium ethyl methyl phosphate has a molecular weight of 162.06 g/mol, XLogP of -2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethyl methyl phosphate is sourced from PubChem (CID 134607083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).