3-cyclohexyloxythiolane-3-carboxylic acid

C11H18O3S — CID 82236538

IUPAC3-cyclohexyloxythiolane-3-carboxylic acid
SMILESO=C(O)C1(OC2CCCCC2)CCSC1
InChIInChI=1S/C11H18O3S/c12-10(13)11(6-7-15-8-11)14-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,13)
InChIKeySPNQBRRETKFAOO-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.30
Rot. Bonds3

About 3-cyclohexyloxythiolane-3-carboxylic acid

3-cyclohexyloxythiolane-3-carboxylic acid (PubChem CID 82236538) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-cyclohexyloxythiolane-3-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyloxythiolane-3-carboxylic acid
PubChem CID82236538
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name3-cyclohexyloxythiolane-3-carboxylic acid
SMILESO=C(O)C1(OC2CCCCC2)CCSC1
InChIInChI=1S/C11H18O3S/c12-10(13)11(6-7-15-8-11)14-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,13)
InChIKeySPNQBRRETKFAOO-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 3-cyclohexyloxythiolane-3-carboxylic acid?
The IUPAC name of 3-cyclohexyloxythiolane-3-carboxylic acid (CID 82236538) is 3-cyclohexyloxythiolane-3-carboxylic acid.
What is the SMILES notation for 3-cyclohexyloxythiolane-3-carboxylic acid?
The canonical SMILES for 3-cyclohexyloxythiolane-3-carboxylic acid is O=C(O)C1(OC2CCCCC2)CCSC1.
What is the InChIKey of 3-cyclohexyloxythiolane-3-carboxylic acid?
The InChIKey is SPNQBRRETKFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c12-10(13)11(6-7-15-8-11)14-9-4-2-1-3-5-9/h9H,1-8H2,(H,12,13).
What are the key properties of 3-cyclohexyloxythiolane-3-carboxylic acid?
3-cyclohexyloxythiolane-3-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 3-cyclohexyloxythiolane-3-carboxylic acid is sourced from PubChem (CID 82236538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).