4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid

C14H18O3S — CID 102950982

IUPAC4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCC23CCCCC3)cs1
InChIInChI=1S/C14H18O3S/c15-13(16)11-8-10(9-18-11)17-12-4-7-14(12)5-2-1-3-6-14/h8-9,12H,1-7H2,(H,15,16)
InChIKeyJTINXQWEBCEKPJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.94
Rot. Bonds3

About 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid

4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid (PubChem CID 102950982) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid
PubChem CID102950982
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OC2CCC23CCCCC3)cs1
InChIInChI=1S/C14H18O3S/c15-13(16)11-8-10(9-18-11)17-12-4-7-14(12)5-2-1-3-6-14/h8-9,12H,1-7H2,(H,15,16)
InChIKeyJTINXQWEBCEKPJ-UHFFFAOYSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid?
The IUPAC name of 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid (CID 102950982) is 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid?
The canonical SMILES for 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid is O=C(O)c1cc(OC2CCC23CCCCC3)cs1.
What is the InChIKey of 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid?
The InChIKey is JTINXQWEBCEKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c15-13(16)11-8-10(9-18-11)17-12-4-7-14(12)5-2-1-3-6-14/h8-9,12H,1-7H2,(H,15,16).
What are the key properties of 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid?
4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid has a molecular weight of 266.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid is sourced from PubChem (CID 102950982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).