1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid

C10H16O4S — CID 62738864

IUPAC1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C10H16O4S/c11-9(12)10(4-1-2-5-10)8-3-6-15(13,14)7-8/h8H,1-7H2,(H,11,12)
InChIKeyIWJYBOIZZREVPD-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.07
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid

1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 62738864) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid
PubChem CID62738864
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C2CCS(=O)(=O)C2)CCCC1
InChIInChI=1S/C10H16O4S/c11-9(12)10(4-1-2-5-10)8-3-6-15(13,14)7-8/h8H,1-7H2,(H,11,12)
InChIKeyIWJYBOIZZREVPD-UHFFFAOYSA-N
XLogP1.07
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid (CID 62738864) is 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(C2CCS(=O)(=O)C2)CCCC1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is IWJYBOIZZREVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c11-9(12)10(4-1-2-5-10)8-3-6-15(13,14)7-8/h8H,1-7H2,(H,11,12).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid?
1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62738864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).