3-cyclopentyloxythiolane-3-carboxylic acid

C10H16O3S — CID 82236542

IUPAC3-cyclopentyloxythiolane-3-carboxylic acid
SMILESO=C(O)C1(OC2CCCC2)CCSC1
InChIInChI=1S/C10H16O3S/c11-9(12)10(5-6-14-7-10)13-8-3-1-2-4-8/h8H,1-7H2,(H,11,12)
InChIKeyGRMMWRSBOZVJPT-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.91
Rot. Bonds3

About 3-cyclopentyloxythiolane-3-carboxylic acid

3-cyclopentyloxythiolane-3-carboxylic acid (PubChem CID 82236542) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 3-cyclopentyloxythiolane-3-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyloxythiolane-3-carboxylic acid
PubChem CID82236542
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name3-cyclopentyloxythiolane-3-carboxylic acid
SMILESO=C(O)C1(OC2CCCC2)CCSC1
InChIInChI=1S/C10H16O3S/c11-9(12)10(5-6-14-7-10)13-8-3-1-2-4-8/h8H,1-7H2,(H,11,12)
InChIKeyGRMMWRSBOZVJPT-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxythiolane-3-carboxylic acid?
The IUPAC name of 3-cyclopentyloxythiolane-3-carboxylic acid (CID 82236542) is 3-cyclopentyloxythiolane-3-carboxylic acid.
What is the SMILES notation for 3-cyclopentyloxythiolane-3-carboxylic acid?
The canonical SMILES for 3-cyclopentyloxythiolane-3-carboxylic acid is O=C(O)C1(OC2CCCC2)CCSC1.
What is the InChIKey of 3-cyclopentyloxythiolane-3-carboxylic acid?
The InChIKey is GRMMWRSBOZVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c11-9(12)10(5-6-14-7-10)13-8-3-1-2-4-8/h8H,1-7H2,(H,11,12).
What are the key properties of 3-cyclopentyloxythiolane-3-carboxylic acid?
3-cyclopentyloxythiolane-3-carboxylic acid has a molecular weight of 216.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxythiolane-3-carboxylic acid is sourced from PubChem (CID 82236542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).