4-cyclopentyloxythiane-4-carboxylic acid

C11H18O3S — CID 82236547

IUPAC4-cyclopentyloxythiane-4-carboxylic acid
SMILESO=C(O)C1(OC2CCCC2)CCSCC1
InChIInChI=1S/C11H18O3S/c12-10(13)11(5-7-15-8-6-11)14-9-3-1-2-4-9/h9H,1-8H2,(H,12,13)
InChIKeyPKACMGXQRFZGFJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.30
Rot. Bonds3

About 4-cyclopentyloxythiane-4-carboxylic acid

4-cyclopentyloxythiane-4-carboxylic acid (PubChem CID 82236547) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-cyclopentyloxythiane-4-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyloxythiane-4-carboxylic acid
PubChem CID82236547
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name4-cyclopentyloxythiane-4-carboxylic acid
SMILESO=C(O)C1(OC2CCCC2)CCSCC1
InChIInChI=1S/C11H18O3S/c12-10(13)11(5-7-15-8-6-11)14-9-3-1-2-4-9/h9H,1-8H2,(H,12,13)
InChIKeyPKACMGXQRFZGFJ-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxythiane-4-carboxylic acid?
The IUPAC name of 4-cyclopentyloxythiane-4-carboxylic acid (CID 82236547) is 4-cyclopentyloxythiane-4-carboxylic acid.
What is the SMILES notation for 4-cyclopentyloxythiane-4-carboxylic acid?
The canonical SMILES for 4-cyclopentyloxythiane-4-carboxylic acid is O=C(O)C1(OC2CCCC2)CCSCC1.
What is the InChIKey of 4-cyclopentyloxythiane-4-carboxylic acid?
The InChIKey is PKACMGXQRFZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c12-10(13)11(5-7-15-8-6-11)14-9-3-1-2-4-9/h9H,1-8H2,(H,12,13).
What are the key properties of 4-cyclopentyloxythiane-4-carboxylic acid?
4-cyclopentyloxythiane-4-carboxylic acid has a molecular weight of 230.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxythiane-4-carboxylic acid is sourced from PubChem (CID 82236547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).