1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol

C11H12OS — CID 130055841

IUPAC1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
SMILESOC1(C#Cc2cccs2)CCCC1
InChIInChI=1S/C11H12OS/c12-11(6-1-2-7-11)8-5-10-4-3-9-13-10/h3-4,9,12H,1-2,6-7H2
InChIKeyOVXOWJKJJBYTCB-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.40
Rot. Bonds

About 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol

1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol (PubChem CID 130055841) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
PubChem CID130055841
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
SMILESOC1(C#Cc2cccs2)CCCC1
InChIInChI=1S/C11H12OS/c12-11(6-1-2-7-11)8-5-10-4-3-9-13-10/h3-4,9,12H,1-2,6-7H2
InChIKeyOVXOWJKJJBYTCB-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol?
The IUPAC name of 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol (CID 130055841) is 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol is OC1(C#Cc2cccs2)CCCC1.
What is the InChIKey of 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol?
The InChIKey is OVXOWJKJJBYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c12-11(6-1-2-7-11)8-5-10-4-3-9-13-10/h3-4,9,12H,1-2,6-7H2.
What are the key properties of 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol?
1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol has a molecular weight of 192.28 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol is sourced from PubChem (CID 130055841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).