2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid

C9H16O5S — CID 79418755

IUPAC2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid
SMILESO=C(O)C(CCCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16O5S/c10-4-1-2-8(9(11)12)7-3-5-15(13,14)6-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeyLQFRSLIHQAXPTK-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.11
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid

2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid (PubChem CID 79418755) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid
PubChem CID79418755
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid
SMILESO=C(O)C(CCCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16O5S/c10-4-1-2-8(9(11)12)7-3-5-15(13,14)6-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeyLQFRSLIHQAXPTK-UHFFFAOYSA-N
XLogP-0.11
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid (CID 79418755) is 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid is O=C(O)C(CCCO)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid?
The InChIKey is LQFRSLIHQAXPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c10-4-1-2-8(9(11)12)7-3-5-15(13,14)6-7/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid?
2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-5-hydroxypentanoic acid is sourced from PubChem (CID 79418755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).