4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid

C13H16O4S — CID 79904640

IUPAC4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCOC3(CCC3)C2)cs1
InChIInChI=1S/C13H16O4S/c14-12(15)11-6-10(8-18-11)17-9-2-5-16-13(7-9)3-1-4-13/h6,8-9H,1-5,7H2,(H,14,15)
InChIKeyGUARTIBUQDIFCT-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.93
Rot. Bonds3

About 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid

4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid (PubChem CID 79904640) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid
PubChem CID79904640
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCOC3(CCC3)C2)cs1
InChIInChI=1S/C13H16O4S/c14-12(15)11-6-10(8-18-11)17-9-2-5-16-13(7-9)3-1-4-13/h6,8-9H,1-5,7H2,(H,14,15)
InChIKeyGUARTIBUQDIFCT-UHFFFAOYSA-N
XLogP2.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
CID 79904569
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392
5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 115297905
4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid
CID 102950982
5-ethyl-3-(6-oxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
CID 79899253
4-(3,4-dimethylcyclohexyl)oxythiophene-2-carboxylic acid
CID 66437133
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
methyl 5-amino-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoate
CID 106955854
2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 107341466
3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid
CID 81445391
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid (CID 79904640) is 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid is O=C(O)c1cc(OC2CCOC3(CCC3)C2)cs1.
What is the InChIKey of 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid?
The InChIKey is GUARTIBUQDIFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4S/c14-12(15)11-6-10(8-18-11)17-9-2-5-16-13(7-9)3-1-4-13/h6,8-9H,1-5,7H2,(H,14,15).
What are the key properties of 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid?
4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid has a molecular weight of 268.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 79904640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).