6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid

C8H10O4 — CID 166444205

IUPAC6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCC2)O1
InChIInChI=1S/C8H10O4/c9-6-4-5(7(10)11)8(12-6)2-1-3-8/h5H,1-4H2,(H,10,11)
InChIKeyJNHFVBJVMPKMDM-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.56
Rot. Bonds1

About 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid

6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid (PubChem CID 166444205) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid
PubChem CID166444205
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCC2)O1
InChIInChI=1S/C8H10O4/c9-6-4-5(7(10)11)8(12-6)2-1-3-8/h5H,1-4H2,(H,10,11)
InChIKeyJNHFVBJVMPKMDM-UHFFFAOYSA-N
XLogP0.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid?
The IUPAC name of 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid (CID 166444205) is 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid is O=C1CC(C(=O)O)C2(CCC2)O1.
What is the InChIKey of 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid?
The InChIKey is JNHFVBJVMPKMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-6-4-5(7(10)11)8(12-6)2-1-3-8/h5H,1-4H2,(H,10,11).
What are the key properties of 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid?
6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 166444205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).