(2-chlorocyclohexyl)selanylbenzene

C12H15ClSe — CID 13225755

IUPAC(2-chlorocyclohexyl)selanylbenzene
SMILESClC1CCCCC1[Se]c1ccccc1
InChIInChI=1S/C12H15ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyDZGYMCQMEIYKMY-UHFFFAOYSA-N
MW273.66 g/mol
LogP2.99
Rot. Bonds2

About (2-chlorocyclohexyl)selanylbenzene

(2-chlorocyclohexyl)selanylbenzene (PubChem CID 13225755) has the molecular formula C12H15ClSe and a molecular weight of 273.66 g/mol. Its IUPAC name is (2-chlorocyclohexyl)selanylbenzene.

Molecular Properties

Compound Name(2-chlorocyclohexyl)selanylbenzene
PubChem CID13225755
Molecular FormulaC12H15ClSe
Molecular Weight273.66 g/mol
Exact Mass274.00
IUPAC Name(2-chlorocyclohexyl)selanylbenzene
SMILESClC1CCCCC1[Se]c1ccccc1
InChIInChI=1S/C12H15ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyDZGYMCQMEIYKMY-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorocyclohexyl)selanylbenzene?
The IUPAC name of (2-chlorocyclohexyl)selanylbenzene (CID 13225755) is (2-chlorocyclohexyl)selanylbenzene.
What is the SMILES notation for (2-chlorocyclohexyl)selanylbenzene?
The canonical SMILES for (2-chlorocyclohexyl)selanylbenzene is ClC1CCCCC1[Se]c1ccccc1.
What is the InChIKey of (2-chlorocyclohexyl)selanylbenzene?
The InChIKey is DZGYMCQMEIYKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2.
What are the key properties of (2-chlorocyclohexyl)selanylbenzene?
(2-chlorocyclohexyl)selanylbenzene has a molecular weight of 273.66 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclohexyl)selanylbenzene is sourced from PubChem (CID 13225755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).