lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate

C6H10LiO6P — CID 140811021

IUPAClithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate
SMILESCOP(=O)([O-])C(OC(C)=O)C(C)=O.[Li+]
InChIInChI=1S/C6H11O6P.Li/c1-4(7)6(12-5(2)8)13(9,10)11-3;/h6H,1-3H3,(H,9,10);/q;+1/p-1
InChIKeyCCVOMVPWFONESY-UHFFFAOYSA-M
MW216.05 g/mol
LogP-3.33
Rot. Bonds4

About lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate

lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate (PubChem CID 140811021) has the molecular formula C6H10LiO6P and a molecular weight of 216.05 g/mol. Its IUPAC name is lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate.

Molecular Properties

Compound Namelithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate
PubChem CID140811021
Molecular FormulaC6H10LiO6P
Molecular Weight216.05 g/mol
Exact Mass216.04
IUPAC Namelithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate
SMILESCOP(=O)([O-])C(OC(C)=O)C(C)=O.[Li+]
InChIInChI=1S/C6H11O6P.Li/c1-4(7)6(12-5(2)8)13(9,10)11-3;/h6H,1-3H3,(H,9,10);/q;+1/p-1
InChIKeyCCVOMVPWFONESY-UHFFFAOYSA-M
XLogP-3.33
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 5-3.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (1-acetyloxy-2-oxopropyl)-methoxyphosphinate?
The IUPAC name of lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate (CID 140811021) is lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate.
What is the SMILES notation for lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate?
The canonical SMILES for lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate is COP(=O)([O-])C(OC(C)=O)C(C)=O.[Li+].
What is the InChIKey of lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate?
The InChIKey is CCVOMVPWFONESY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11O6P.Li/c1-4(7)6(12-5(2)8)13(9,10)11-3;/h6H,1-3H3,(H,9,10);/q;+1/p-1.
What are the key properties of lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate?
lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate has a molecular weight of 216.05 g/mol, XLogP of -3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1-acetyloxy-2-oxopropyl)-methoxyphosphinate is sourced from PubChem (CID 140811021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).