bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid

C18H32N2O6 — CID 90645632

IUPACbis(8-oxa-2-azaspiro[4.5]decane);oxalic acid
SMILESC1CC2(CCOCC2)CN1.C1CC2(CCOCC2)CN1.O=C(O)C(=O)O
InChIInChI=1S/2C8H15NO.C2H2O4/c2*1-4-9-7-8(1)2-5-10-6-3-8;3-1(4)2(5)6/h2*9H,1-7H2;(H,3,4)(H,5,6)
InChIKeyXZXYCQCIQSKHHF-UHFFFAOYSA-N
MW372.46 g/mol
LogP0.71
Rot. Bonds

About bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid

bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid (PubChem CID 90645632) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid.

Molecular Properties

Compound Namebis(8-oxa-2-azaspiro[4.5]decane);oxalic acid
PubChem CID90645632
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Namebis(8-oxa-2-azaspiro[4.5]decane);oxalic acid
SMILESC1CC2(CCOCC2)CN1.C1CC2(CCOCC2)CN1.O=C(O)C(=O)O
InChIInChI=1S/2C8H15NO.C2H2O4/c2*1-4-9-7-8(1)2-5-10-6-3-8;3-1(4)2(5)6/h2*9H,1-7H2;(H,3,4)(H,5,6)
InChIKeyXZXYCQCIQSKHHF-UHFFFAOYSA-N
XLogP0.71
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 50.71
H-Bond Donors ≤ 54
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(8-oxa-2-azaspiro[4.5]decane);oxalic acid?
The IUPAC name of bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid (CID 90645632) is bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid.
What is the SMILES notation for bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid?
The canonical SMILES for bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid is C1CC2(CCOCC2)CN1.C1CC2(CCOCC2)CN1.O=C(O)C(=O)O.
What is the InChIKey of bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid?
The InChIKey is XZXYCQCIQSKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15NO.C2H2O4/c2*1-4-9-7-8(1)2-5-10-6-3-8;3-1(4)2(5)6/h2*9H,1-7H2;(H,3,4)(H,5,6).
What are the key properties of bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid?
bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid has a molecular weight of 372.46 g/mol, XLogP of 0.71, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid is sourced from PubChem (CID 90645632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).