2-(2,5-dimethylphenyl)selenolane

C12H16Se — CID 101482181

IUPAC2-(2,5-dimethylphenyl)selenolane
SMILESCc1ccc(C)c(C2CCC[Se]2)c1
InChIInChI=1S/C12H16Se/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyDOEJXDZNQAMQIQ-UHFFFAOYSA-N
MW239.22 g/mol
LogP3.26
Rot. Bonds1

About 2-(2,5-dimethylphenyl)selenolane

2-(2,5-dimethylphenyl)selenolane (PubChem CID 101482181) has the molecular formula C12H16Se and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)selenolane.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)selenolane
PubChem CID101482181
Molecular FormulaC12H16Se
Molecular Weight239.22 g/mol
Exact Mass240.04
IUPAC Name2-(2,5-dimethylphenyl)selenolane
SMILESCc1ccc(C)c(C2CCC[Se]2)c1
InChIInChI=1S/C12H16Se/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyDOEJXDZNQAMQIQ-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)selenolane?
The IUPAC name of 2-(2,5-dimethylphenyl)selenolane (CID 101482181) is 2-(2,5-dimethylphenyl)selenolane.
What is the SMILES notation for 2-(2,5-dimethylphenyl)selenolane?
The canonical SMILES for 2-(2,5-dimethylphenyl)selenolane is Cc1ccc(C)c(C2CCC[Se]2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)selenolane?
The InChIKey is DOEJXDZNQAMQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Se/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)selenolane?
2-(2,5-dimethylphenyl)selenolane has a molecular weight of 239.22 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)selenolane is sourced from PubChem (CID 101482181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).