bis(morpholin-4-ium);oxalate

C10H20N2O6 — CID 68802832

IUPACbis(morpholin-4-ium);oxalate
SMILESC1COCC[NH2+]1.C1COCC[NH2+]1.O=C([O-])C(=O)[O-]
InChIInChI=1S/2C4H9NO.C2H2O4/c2*1-3-6-4-2-5-1;3-1(4)2(5)6/h2*5H,1-4H2;(H,3,4)(H,5,6)
InChIKeyNXKVZKDVVRPGGX-UHFFFAOYSA-N
MW264.28 g/mol
LogP-6.35
Rot. Bonds

About bis(morpholin-4-ium);oxalate

bis(morpholin-4-ium);oxalate (PubChem CID 68802832) has the molecular formula C10H20N2O6 and a molecular weight of 264.28 g/mol. Its IUPAC name is bis(morpholin-4-ium);oxalate.

Molecular Properties

Compound Namebis(morpholin-4-ium);oxalate
PubChem CID68802832
Molecular FormulaC10H20N2O6
Molecular Weight264.28 g/mol
Exact Mass264.13
IUPAC Namebis(morpholin-4-ium);oxalate
SMILESC1COCC[NH2+]1.C1COCC[NH2+]1.O=C([O-])C(=O)[O-]
InChIInChI=1S/2C4H9NO.C2H2O4/c2*1-3-6-4-2-5-1;3-1(4)2(5)6/h2*5H,1-4H2;(H,3,4)(H,5,6)
InChIKeyNXKVZKDVVRPGGX-UHFFFAOYSA-N
XLogP-6.35
TPSA131.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-6.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(morpholin-4-ium);oxalate?
The IUPAC name of bis(morpholin-4-ium);oxalate (CID 68802832) is bis(morpholin-4-ium);oxalate.
What is the SMILES notation for bis(morpholin-4-ium);oxalate?
The canonical SMILES for bis(morpholin-4-ium);oxalate is C1COCC[NH2+]1.C1COCC[NH2+]1.O=C([O-])C(=O)[O-].
What is the InChIKey of bis(morpholin-4-ium);oxalate?
The InChIKey is NXKVZKDVVRPGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO.C2H2O4/c2*1-3-6-4-2-5-1;3-1(4)2(5)6/h2*5H,1-4H2;(H,3,4)(H,5,6).
What are the key properties of bis(morpholin-4-ium);oxalate?
bis(morpholin-4-ium);oxalate has a molecular weight of 264.28 g/mol, XLogP of -6.35, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(morpholin-4-ium);oxalate is sourced from PubChem (CID 68802832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).