lithium phosphanyl carbonate

CH2LiO3P — CID 174883417

IUPAClithium phosphanyl carbonate
SMILESO=C([O-])OP.[Li+]
InChIInChI=1S/CH3O3P.Li/c2-1(3)4-5;/h5H2,(H,2,3);/q;+1/p-1
InChIKeyPXWNSHGUKUJHOA-UHFFFAOYSA-M
MW99.94 g/mol
LogP-3.86
Rot. Bonds

About lithium phosphanyl carbonate

lithium phosphanyl carbonate (PubChem CID 174883417) has the molecular formula CH2LiO3P and a molecular weight of 99.94 g/mol. Its IUPAC name is lithium phosphanyl carbonate.

Molecular Properties

Compound Namelithium phosphanyl carbonate
PubChem CID174883417
Molecular FormulaCH2LiO3P
Molecular Weight99.94 g/mol
Exact Mass99.99
IUPAC Namelithium phosphanyl carbonate
SMILESO=C([O-])OP.[Li+]
InChIInChI=1S/CH3O3P.Li/c2-1(3)4-5;/h5H2,(H,2,3);/q;+1/p-1
InChIKeyPXWNSHGUKUJHOA-UHFFFAOYSA-M
XLogP-3.86
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.94
LogP ≤ 5-3.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium fluoro carbonate
CID 175046605
calcium;ruthenium;carbonate
CID 87309849
dilithium;niobium;carbonate
CID 174670751
dilithium;strontium;dicarbonate
CID 174897273
carboxylato carbonate;thorium(2+)
CID 21149383
carboxylato carbonate;bis(samarium(3+))
CID 160687962
diazanium;oxido carbonate
CID 22665386
carboxylato carbonate;iron(3+)
CID 172818813
magnesium carboxylato carbonate
CID 87890039
calcium bromo carbonate
CID 142761680
sodium iodo carbonate
CID 174948580
zinc sulfo carbonate
CID 23463769

Frequently Asked Questions

What is the IUPAC name of lithium phosphanyl carbonate?
The IUPAC name of lithium phosphanyl carbonate (CID 174883417) is lithium phosphanyl carbonate.
What is the SMILES notation for lithium phosphanyl carbonate?
The canonical SMILES for lithium phosphanyl carbonate is O=C([O-])OP.[Li+].
What is the InChIKey of lithium phosphanyl carbonate?
The InChIKey is PXWNSHGUKUJHOA-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3O3P.Li/c2-1(3)4-5;/h5H2,(H,2,3);/q;+1/p-1.
What are the key properties of lithium phosphanyl carbonate?
lithium phosphanyl carbonate has a molecular weight of 99.94 g/mol, XLogP of -3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phosphanyl carbonate is sourced from PubChem (CID 174883417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).