bis(4-methylmorpholin-4-ium);methyl phosphite

C11H27N2O5P — CID 142702748

IUPACbis(4-methylmorpholin-4-ium);methyl phosphite
SMILESCOP([O-])[O-].C[NH+]1CCOCC1.C[NH+]1CCOCC1
InChIInChI=1S/2C5H11NO.CH3O3P/c2*1-6-2-4-7-5-3-6;1-4-5(2)3/h2*2-5H2,1H3;1H3/q;;-2/p+2
InChIKeyPONRHOGZVNRJRE-UHFFFAOYSA-P
MW298.32 g/mol
LogP-4.36
Rot. Bonds1

About bis(4-methylmorpholin-4-ium);methyl phosphite

bis(4-methylmorpholin-4-ium);methyl phosphite (PubChem CID 142702748) has the molecular formula C11H27N2O5P and a molecular weight of 298.32 g/mol. Its IUPAC name is bis(4-methylmorpholin-4-ium);methyl phosphite.

Molecular Properties

Compound Namebis(4-methylmorpholin-4-ium);methyl phosphite
PubChem CID142702748
Molecular FormulaC11H27N2O5P
Molecular Weight298.32 g/mol
Exact Mass298.17
IUPAC Namebis(4-methylmorpholin-4-ium);methyl phosphite
SMILESCOP([O-])[O-].C[NH+]1CCOCC1.C[NH+]1CCOCC1
InChIInChI=1S/2C5H11NO.CH3O3P/c2*1-6-2-4-7-5-3-6;1-4-5(2)3/h2*2-5H2,1H3;1H3/q;;-2/p+2
InChIKeyPONRHOGZVNRJRE-UHFFFAOYSA-P
XLogP-4.36
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-4.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-methylmorpholin-4-ium);methyl phosphite?
The IUPAC name of bis(4-methylmorpholin-4-ium);methyl phosphite (CID 142702748) is bis(4-methylmorpholin-4-ium);methyl phosphite.
What is the SMILES notation for bis(4-methylmorpholin-4-ium);methyl phosphite?
The canonical SMILES for bis(4-methylmorpholin-4-ium);methyl phosphite is COP([O-])[O-].C[NH+]1CCOCC1.C[NH+]1CCOCC1.
What is the InChIKey of bis(4-methylmorpholin-4-ium);methyl phosphite?
The InChIKey is PONRHOGZVNRJRE-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H11NO.CH3O3P/c2*1-6-2-4-7-5-3-6;1-4-5(2)3/h2*2-5H2,1H3;1H3/q;;-2/p+2.
What are the key properties of bis(4-methylmorpholin-4-ium);methyl phosphite?
bis(4-methylmorpholin-4-ium);methyl phosphite has a molecular weight of 298.32 g/mol, XLogP of -4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylmorpholin-4-ium);methyl phosphite is sourced from PubChem (CID 142702748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).