4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid

C13H16O5S — CID 79904569

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCOC3(CCOC3)C2)cs1
InChIInChI=1S/C13H16O5S/c14-12(15)11-5-10(7-19-11)18-9-1-3-17-13(6-9)2-4-16-8-13/h5,7,9H,1-4,6,8H2,(H,14,15)
InChIKeyQZOIUYYGUBJLGG-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.16
Rot. Bonds3

About 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid

4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid (PubChem CID 79904569) has the molecular formula C13H16O5S and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
PubChem CID79904569
Molecular FormulaC13H16O5S
Molecular Weight284.33 g/mol
Exact Mass284.07
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCOC3(CCOC3)C2)cs1
InChIInChI=1S/C13H16O5S/c14-12(15)11-5-10(7-19-11)18-9-1-3-17-13(6-9)2-4-16-8-13/h5,7,9H,1-4,6,8H2,(H,14,15)
InChIKeyQZOIUYYGUBJLGG-UHFFFAOYSA-N
XLogP2.16
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid
CID 79904640
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
CID 107675399
4-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898959
4-amino-3-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79900845
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-fluorobenzoic acid
CID 107690082
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol
CID 107680307
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]boronic acid
CID 79894699
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
1-[5-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanone
CID 79901655

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid (CID 79904569) is 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid is O=C(O)c1cc(OC2CCOC3(CCOC3)C2)cs1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid?
The InChIKey is QZOIUYYGUBJLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5S/c14-12(15)11-5-10(7-19-11)18-9-1-3-17-13(6-9)2-4-16-8-13/h5,7,9H,1-4,6,8H2,(H,14,15).
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid?
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid has a molecular weight of 284.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 79904569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).