lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate

C8H16LiO5P — CID 23674806

IUPAClithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate
SMILESCCO/C([O-])=C/P(=O)(OCC)OCC.[Li+]
InChIInChI=1S/C8H17O5P.Li/c1-4-11-8(9)7-14(10,12-5-2)13-6-3;/h7,9H,4-6H2,1-3H3;/q;+1/p-1/b8-7+;
InChIKeyKRFKZYXRGZWCNC-USRGLUTNSA-M
MW230.13 g/mol
LogP-1.55
Rot. Bonds7

About lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate

lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate (PubChem CID 23674806) has the molecular formula C8H16LiO5P and a molecular weight of 230.13 g/mol. Its IUPAC name is lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate.

Molecular Properties

Compound Namelithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate
PubChem CID23674806
Molecular FormulaC8H16LiO5P
Molecular Weight230.13 g/mol
Exact Mass230.09
IUPAC Namelithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate
SMILESCCO/C([O-])=C/P(=O)(OCC)OCC.[Li+]
InChIInChI=1S/C8H17O5P.Li/c1-4-11-8(9)7-14(10,12-5-2)13-6-3;/h7,9H,4-6H2,1-3H3;/q;+1/p-1/b8-7+;
InChIKeyKRFKZYXRGZWCNC-USRGLUTNSA-M
XLogP-1.55
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate?
The IUPAC name of lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate (CID 23674806) is lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate.
What is the SMILES notation for lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate?
The canonical SMILES for lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate is CCO/C([O-])=C/P(=O)(OCC)OCC.[Li+].
What is the InChIKey of lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate?
The InChIKey is KRFKZYXRGZWCNC-USRGLUTNSA-M. The full InChI is InChI=1S/C8H17O5P.Li/c1-4-11-8(9)7-14(10,12-5-2)13-6-3;/h7,9H,4-6H2,1-3H3;/q;+1/p-1/b8-7+;.
What are the key properties of lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate?
lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate has a molecular weight of 230.13 g/mol, XLogP of -1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-2-diethoxyphosphoryl-1-ethoxyethenolate is sourced from PubChem (CID 23674806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).