oxalic acid;spiro[4.5]decan-3-one

C12H18O5 — CID 162309193

IUPACoxalic acid;spiro[4.5]decan-3-one
SMILESO=C(O)C(=O)O.O=C1CCC2(CCCCC2)C1
InChIInChI=1S/C10H16O.C2H2O4/c11-9-4-7-10(8-9)5-2-1-3-6-10;3-1(4)2(5)6/h1-8H2;(H,3,4)(H,5,6)
InChIKeyRTRXFODICJQJAN-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.85
Rot. Bonds

About oxalic acid;spiro[4.5]decan-3-one

oxalic acid;spiro[4.5]decan-3-one (PubChem CID 162309193) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is oxalic acid;spiro[4.5]decan-3-one.

Molecular Properties

Compound Nameoxalic acid;spiro[4.5]decan-3-one
PubChem CID162309193
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Nameoxalic acid;spiro[4.5]decan-3-one
SMILESO=C(O)C(=O)O.O=C1CCC2(CCCCC2)C1
InChIInChI=1S/C10H16O.C2H2O4/c11-9-4-7-10(8-9)5-2-1-3-6-10;3-1(4)2(5)6/h1-8H2;(H,3,4)(H,5,6)
InChIKeyRTRXFODICJQJAN-UHFFFAOYSA-N
XLogP1.85
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxalic acid;spiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxalic acid;spiro[4.5]decan-3-one?
The IUPAC name of oxalic acid;spiro[4.5]decan-3-one (CID 162309193) is oxalic acid;spiro[4.5]decan-3-one.
What is the SMILES notation for oxalic acid;spiro[4.5]decan-3-one?
The canonical SMILES for oxalic acid;spiro[4.5]decan-3-one is O=C(O)C(=O)O.O=C1CCC2(CCCCC2)C1.
What is the InChIKey of oxalic acid;spiro[4.5]decan-3-one?
The InChIKey is RTRXFODICJQJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C2H2O4/c11-9-4-7-10(8-9)5-2-1-3-6-10;3-1(4)2(5)6/h1-8H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;spiro[4.5]decan-3-one?
oxalic acid;spiro[4.5]decan-3-one has a molecular weight of 242.27 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;spiro[4.5]decan-3-one is sourced from PubChem (CID 162309193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).