2-cyclohexylethylselanylbenzene

C14H20Se — CID 170984114

IUPAC2-cyclohexylethylselanylbenzene
SMILESc1ccc([Se]CCC2CCCCC2)cc1
InChIInChI=1S/C14H20Se/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeySLRYMUZDQCMJDA-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.40
Rot. Bonds4

About 2-cyclohexylethylselanylbenzene

2-cyclohexylethylselanylbenzene (PubChem CID 170984114) has the molecular formula C14H20Se and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-cyclohexylethylselanylbenzene.

Molecular Properties

Compound Name2-cyclohexylethylselanylbenzene
PubChem CID170984114
Molecular FormulaC14H20Se
Molecular Weight267.27 g/mol
Exact Mass268.07
IUPAC Name2-cyclohexylethylselanylbenzene
SMILESc1ccc([Se]CCC2CCCCC2)cc1
InChIInChI=1S/C14H20Se/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2
InChIKeySLRYMUZDQCMJDA-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.40
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-cyclohexylethylselanylbenzene?
The IUPAC name of 2-cyclohexylethylselanylbenzene (CID 170984114) is 2-cyclohexylethylselanylbenzene.
What is the SMILES notation for 2-cyclohexylethylselanylbenzene?
The canonical SMILES for 2-cyclohexylethylselanylbenzene is c1ccc([Se]CCC2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylethylselanylbenzene?
The InChIKey is SLRYMUZDQCMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Se/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2.
What are the key properties of 2-cyclohexylethylselanylbenzene?
2-cyclohexylethylselanylbenzene has a molecular weight of 267.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethylselanylbenzene is sourced from PubChem (CID 170984114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).