3-pentanoyloxythiolane-2-carboxylic acid

C10H16O4S — CID 18952906

IUPAC3-pentanoyloxythiolane-2-carboxylic acid
SMILESCCCCC(=O)OC1CCSC1C(=O)O
InChIInChI=1S/C10H16O4S/c1-2-3-4-8(11)14-7-5-6-15-9(7)10(12)13/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyLKTOGJICXHRMQC-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.68
Rot. Bonds5

About 3-pentanoyloxythiolane-2-carboxylic acid

3-pentanoyloxythiolane-2-carboxylic acid (PubChem CID 18952906) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-pentanoyloxythiolane-2-carboxylic acid.

Molecular Properties

Compound Name3-pentanoyloxythiolane-2-carboxylic acid
PubChem CID18952906
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name3-pentanoyloxythiolane-2-carboxylic acid
SMILESCCCCC(=O)OC1CCSC1C(=O)O
InChIInChI=1S/C10H16O4S/c1-2-3-4-8(11)14-7-5-6-15-9(7)10(12)13/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyLKTOGJICXHRMQC-UHFFFAOYSA-N
XLogP1.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pentanoyloxythiolane-2-carboxylic acid?
The IUPAC name of 3-pentanoyloxythiolane-2-carboxylic acid (CID 18952906) is 3-pentanoyloxythiolane-2-carboxylic acid.
What is the SMILES notation for 3-pentanoyloxythiolane-2-carboxylic acid?
The canonical SMILES for 3-pentanoyloxythiolane-2-carboxylic acid is CCCCC(=O)OC1CCSC1C(=O)O.
What is the InChIKey of 3-pentanoyloxythiolane-2-carboxylic acid?
The InChIKey is LKTOGJICXHRMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-2-3-4-8(11)14-7-5-6-15-9(7)10(12)13/h7,9H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-pentanoyloxythiolane-2-carboxylic acid?
3-pentanoyloxythiolane-2-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentanoyloxythiolane-2-carboxylic acid is sourced from PubChem (CID 18952906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).