5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid

C10H11ClO3S — CID 130585178

IUPAC5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid
SMILESCC1(c2ccc(Cl)s2)CCC(C(=O)O)O1
InChIInChI=1S/C10H11ClO3S/c1-10(7-2-3-8(11)15-7)5-4-6(14-10)9(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyURPKDXARAYNADT-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.88
Rot. Bonds2

About 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid

5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid (PubChem CID 130585178) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid
PubChem CID130585178
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Name5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid
SMILESCC1(c2ccc(Cl)s2)CCC(C(=O)O)O1
InChIInChI=1S/C10H11ClO3S/c1-10(7-2-3-8(11)15-7)5-4-6(14-10)9(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyURPKDXARAYNADT-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid (CID 130585178) is 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid is CC1(c2ccc(Cl)s2)CCC(C(=O)O)O1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid?
The InChIKey is URPKDXARAYNADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c1-10(7-2-3-8(11)15-7)5-4-6(14-10)9(12)13/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid?
5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid has a molecular weight of 246.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid is sourced from PubChem (CID 130585178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).