lithium;diphenylphosphinate;oxolane

C16H18LiO3P — CID 139065490

IUPAClithium;diphenylphosphinate;oxolane
SMILESC1CCOC1.O=P([O-])(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C12H11O2P.C4H8O.Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1;/h1-10H,(H,13,14);1-4H2;/q;;+1/p-1
InChIKeyUBMTXOROLRTWKS-UHFFFAOYSA-M
MW296.23 g/mol
LogP-0.92
Rot. Bonds2

About lithium;diphenylphosphinate;oxolane

lithium;diphenylphosphinate;oxolane (PubChem CID 139065490) has the molecular formula C16H18LiO3P and a molecular weight of 296.23 g/mol. Its IUPAC name is lithium;diphenylphosphinate;oxolane.

Molecular Properties

Compound Namelithium;diphenylphosphinate;oxolane
PubChem CID139065490
Molecular FormulaC16H18LiO3P
Molecular Weight296.23 g/mol
Exact Mass296.12
IUPAC Namelithium;diphenylphosphinate;oxolane
SMILESC1CCOC1.O=P([O-])(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C12H11O2P.C4H8O.Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1;/h1-10H,(H,13,14);1-4H2;/q;;+1/p-1
InChIKeyUBMTXOROLRTWKS-UHFFFAOYSA-M
XLogP-0.92
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;diphenylphosphinate;oxolane?
The IUPAC name of lithium;diphenylphosphinate;oxolane (CID 139065490) is lithium;diphenylphosphinate;oxolane.
What is the SMILES notation for lithium;diphenylphosphinate;oxolane?
The canonical SMILES for lithium;diphenylphosphinate;oxolane is C1CCOC1.O=P([O-])(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium;diphenylphosphinate;oxolane?
The InChIKey is UBMTXOROLRTWKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O2P.C4H8O.Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1;/h1-10H,(H,13,14);1-4H2;/q;;+1/p-1.
What are the key properties of lithium;diphenylphosphinate;oxolane?
lithium;diphenylphosphinate;oxolane has a molecular weight of 296.23 g/mol, XLogP of -0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;diphenylphosphinate;oxolane is sourced from PubChem (CID 139065490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).