CID 57459832

C3H9LiO3P — CID 57459832

IUPAC—
SMILESCOP(C)(=O)OC.[Li]
InChIInChI=1S/C3H9O3P.Li/c1-5-7(3,4)6-2;/h1-3H3;
InChIKeyRRNQBDBPMPUHNI-UHFFFAOYSA-N
MW131.02 g/mol
LogP0.72
Rot. Bonds2

About CID 57459832

CID 57459832 (PubChem CID 57459832) has the molecular formula C3H9LiO3P and a molecular weight of 131.02 g/mol.

Molecular Properties

Compound NameCID 57459832
PubChem CID57459832
Molecular FormulaC3H9LiO3P
Molecular Weight131.02 g/mol
Exact Mass131.04
IUPAC Name—
SMILESCOP(C)(=O)OC.[Li]
InChIInChI=1S/C3H9O3P.Li/c1-5-7(3,4)6-2;/h1-3H3;
InChIKeyRRNQBDBPMPUHNI-UHFFFAOYSA-N
XLogP0.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.02
LogP ≤ 50.72
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

methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
methane;[methoxy(methyl)phosphoryl]oxy-trimethylsilane
CID 158342684
[methoxy(methyl)phosphoryl] acetate
CID 10034798
1-[methoxy(methyl)phosphoryl]oxyethyne
CID 175532807
anisole;[methoxy(methyl)phosphoryl]oxymethane
CID 175280701
[chloro(methyl)phosphoryl]oxymethane
CID 11499216
1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
CID 91752261
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
CID 14451329

Frequently Asked Questions

What is the IUPAC name of CID 57459832?
The IUPAC name of CID 57459832 (CID 57459832) is not available.
What is the SMILES notation for CID 57459832?
The canonical SMILES for CID 57459832 is COP(C)(=O)OC.[Li].
What is the InChIKey of CID 57459832?
The InChIKey is RRNQBDBPMPUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O3P.Li/c1-5-7(3,4)6-2;/h1-3H3;.
What are the key properties of CID 57459832?
CID 57459832 has a molecular weight of 131.02 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57459832 is sourced from PubChem (CID 57459832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).