bis(2-chlorocyclohexyl) selenite

C12H20Cl2O3Se — CID 21243547

IUPACbis(2-chlorocyclohexyl) selenite
SMILESO=[Se](OC1CCCCC1Cl)OC1CCCCC1Cl
InChIInChI=1S/C12H20Cl2O3Se/c13-9-5-1-3-7-11(9)16-18(15)17-12-8-4-2-6-10(12)14/h9-12H,1-8H2
InChIKeyKJIUYXZNDPUTEH-UHFFFAOYSA-N
MW362.16 g/mol
LogP3.54
Rot. Bonds4

About bis(2-chlorocyclohexyl) selenite

bis(2-chlorocyclohexyl) selenite (PubChem CID 21243547) has the molecular formula C12H20Cl2O3Se and a molecular weight of 362.16 g/mol. Its IUPAC name is bis(2-chlorocyclohexyl) selenite.

Molecular Properties

Compound Namebis(2-chlorocyclohexyl) selenite
PubChem CID21243547
Molecular FormulaC12H20Cl2O3Se
Molecular Weight362.16 g/mol
Exact Mass362.00
IUPAC Namebis(2-chlorocyclohexyl) selenite
SMILESO=[Se](OC1CCCCC1Cl)OC1CCCCC1Cl
InChIInChI=1S/C12H20Cl2O3Se/c13-9-5-1-3-7-11(9)16-18(15)17-12-8-4-2-6-10(12)14/h9-12H,1-8H2
InChIKeyKJIUYXZNDPUTEH-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 bis(2-chlorocyclohexyl) selenite?
The IUPAC name of bis(2-chlorocyclohexyl) selenite (CID 21243547) is bis(2-chlorocyclohexyl) selenite.
What is the SMILES notation for bis(2-chlorocyclohexyl) selenite?
The canonical SMILES for bis(2-chlorocyclohexyl) selenite is O=[Se](OC1CCCCC1Cl)OC1CCCCC1Cl.
What is the InChIKey of bis(2-chlorocyclohexyl) selenite?
The InChIKey is KJIUYXZNDPUTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2O3Se/c13-9-5-1-3-7-11(9)16-18(15)17-12-8-4-2-6-10(12)14/h9-12H,1-8H2.
What are the key properties of bis(2-chlorocyclohexyl) selenite?
bis(2-chlorocyclohexyl) selenite has a molecular weight of 362.16 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorocyclohexyl) selenite is sourced from PubChem (CID 21243547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).