CID 21116708

C4H9KO4P-3 — CID 21116708

IUPAC—
SMILESO=P([O-])([O-])[O-].[CH2]CCC.[K]
InChIInChI=1S/C4H9.K.H3O4P/c1-3-4-2;;1-5(2,3)4/h1,3-4H2,2H3;;(H3,1,2,3,4)/p-3
InChIKeyUOEFPOKHRHMKCK-UHFFFAOYSA-K
MW191.18 g/mol
LogP-1.58
Rot. Bonds1

About CID 21116708

CID 21116708 (PubChem CID 21116708) has the molecular formula C4H9KO4P-3 and a molecular weight of 191.18 g/mol.

Molecular Properties

Compound NameCID 21116708
PubChem CID21116708
Molecular FormulaC4H9KO4P-3
Molecular Weight191.18 g/mol
Exact Mass190.99
IUPAC Name—
SMILESO=P([O-])([O-])[O-].[CH2]CCC.[K]
InChIInChI=1S/C4H9.K.H3O4P/c1-3-4-2;;1-5(2,3)4/h1,3-4H2,2H3;;(H3,1,2,3,4)/p-3
InChIKeyUOEFPOKHRHMKCK-UHFFFAOYSA-K
XLogP-1.58
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.58
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 CID 21116708?
The IUPAC name of CID 21116708 (CID 21116708) is not available.
What is the SMILES notation for CID 21116708?
The canonical SMILES for CID 21116708 is O=P([O-])([O-])[O-].[CH2]CCC.[K].
What is the InChIKey of CID 21116708?
The InChIKey is UOEFPOKHRHMKCK-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H9.K.H3O4P/c1-3-4-2;;1-5(2,3)4/h1,3-4H2,2H3;;(H3,1,2,3,4)/p-3.
What are the key properties of CID 21116708?
CID 21116708 has a molecular weight of 191.18 g/mol, XLogP of -1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21116708 is sourced from PubChem (CID 21116708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).