2-cyclopentylperoxythiophene

C9H12O2S — CID 141087154

IUPAC2-cyclopentylperoxythiophene
SMILESc1csc(OOC2CCCC2)c1
InChIInChI=1S/C9H12O2S/c1-2-5-8(4-1)10-11-9-6-3-7-12-9/h3,6-8H,1-2,4-5H2
InChIKeyVXVUWWBGCAECLN-UHFFFAOYSA-N
MW184.26 g/mol
LogP3.00
Rot. Bonds3

About 2-cyclopentylperoxythiophene

2-cyclopentylperoxythiophene (PubChem CID 141087154) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-cyclopentylperoxythiophene.

Molecular Properties

Compound Name2-cyclopentylperoxythiophene
PubChem CID141087154
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-cyclopentylperoxythiophene
SMILESc1csc(OOC2CCCC2)c1
InChIInChI=1S/C9H12O2S/c1-2-5-8(4-1)10-11-9-6-3-7-12-9/h3,6-8H,1-2,4-5H2
InChIKeyVXVUWWBGCAECLN-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclooctyloxyethoxy)thiophene
CID 19004463
1-cyclohexyl-4-thiophen-2-yloxypyrazole
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CID 18415694
N-(2-thiophen-2-ylpropan-2-yl)cyclopentanamine
CID 131153680
2-thiophen-2-ylsulfanylcyclohexan-1-ol
CID 60878226
2-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
2-(9H-fluoren-9-ylmethoxy)thiophene
CID 57183075
2-but-1-enylperoxythiophene
CID 87147341
cyclobutyl 2-amino-2-thiophen-2-ylacetate
CID 115285077
cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
CID 93203929
8-thiophen-2-yl-8-azabicyclo[3.2.1]octane
CID 89065677

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylperoxythiophene?
The IUPAC name of 2-cyclopentylperoxythiophene (CID 141087154) is 2-cyclopentylperoxythiophene.
What is the SMILES notation for 2-cyclopentylperoxythiophene?
The canonical SMILES for 2-cyclopentylperoxythiophene is c1csc(OOC2CCCC2)c1.
What is the InChIKey of 2-cyclopentylperoxythiophene?
The InChIKey is VXVUWWBGCAECLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-2-5-8(4-1)10-11-9-6-3-7-12-9/h3,6-8H,1-2,4-5H2.
What are the key properties of 2-cyclopentylperoxythiophene?
2-cyclopentylperoxythiophene has a molecular weight of 184.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylperoxythiophene is sourced from PubChem (CID 141087154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).