lithium methoxy(pentanoyl)phosphinate

C6H12LiO4P — CID 90667335

IUPAClithium methoxy(pentanoyl)phosphinate
SMILESCCCCC(=O)P(=O)([O-])OC.[Li+]
InChIInChI=1S/C6H13O4P.Li/c1-3-4-5-6(7)11(8,9)10-2;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyKXEDRNDHUXRYNY-UHFFFAOYSA-M
MW186.07 g/mol
LogP-2.09
Rot. Bonds5

About lithium methoxy(pentanoyl)phosphinate

lithium methoxy(pentanoyl)phosphinate (PubChem CID 90667335) has the molecular formula C6H12LiO4P and a molecular weight of 186.07 g/mol. Its IUPAC name is lithium methoxy(pentanoyl)phosphinate.

Molecular Properties

Compound Namelithium methoxy(pentanoyl)phosphinate
PubChem CID90667335
Molecular FormulaC6H12LiO4P
Molecular Weight186.07 g/mol
Exact Mass186.06
IUPAC Namelithium methoxy(pentanoyl)phosphinate
SMILESCCCCC(=O)P(=O)([O-])OC.[Li+]
InChIInChI=1S/C6H13O4P.Li/c1-3-4-5-6(7)11(8,9)10-2;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyKXEDRNDHUXRYNY-UHFFFAOYSA-M
XLogP-2.09
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methoxy(pentanoyl)phosphinate?
The IUPAC name of lithium methoxy(pentanoyl)phosphinate (CID 90667335) is lithium methoxy(pentanoyl)phosphinate.
What is the SMILES notation for lithium methoxy(pentanoyl)phosphinate?
The canonical SMILES for lithium methoxy(pentanoyl)phosphinate is CCCCC(=O)P(=O)([O-])OC.[Li+].
What is the InChIKey of lithium methoxy(pentanoyl)phosphinate?
The InChIKey is KXEDRNDHUXRYNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13O4P.Li/c1-3-4-5-6(7)11(8,9)10-2;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium methoxy(pentanoyl)phosphinate?
lithium methoxy(pentanoyl)phosphinate has a molecular weight of 186.07 g/mol, XLogP of -2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methoxy(pentanoyl)phosphinate is sourced from PubChem (CID 90667335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).