tert-butyl-dichloro-selanylidene-lambda5-phosphane

C4H9Cl2PSe — CID 15733913

IUPACtert-butyl-dichloro-selanylidene-lambda5-phosphane
SMILESCC(C)(C)P(Cl)(Cl)=[Se]
InChIInChI=1S/C4H9Cl2PSe/c1-4(2,3)7(5,6)8/h1-3H3
InChIKeyXIWIHVROXBSSIX-UHFFFAOYSA-N
MW237.96 g/mol
LogP3.19
Rot. Bonds

About tert-butyl-dichloro-selanylidene-lambda5-phosphane

tert-butyl-dichloro-selanylidene-lambda5-phosphane (PubChem CID 15733913) has the molecular formula C4H9Cl2PSe and a molecular weight of 237.96 g/mol. Its IUPAC name is tert-butyl-dichloro-selanylidene-lambda5-phosphane.

Molecular Properties

Compound Nametert-butyl-dichloro-selanylidene-lambda5-phosphane
PubChem CID15733913
Molecular FormulaC4H9Cl2PSe
Molecular Weight237.96 g/mol
Exact Mass237.90
IUPAC Nametert-butyl-dichloro-selanylidene-lambda5-phosphane
SMILESCC(C)(C)P(Cl)(Cl)=[Se]
InChIInChI=1S/C4H9Cl2PSe/c1-4(2,3)7(5,6)8/h1-3H3
InChIKeyXIWIHVROXBSSIX-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.96
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dichloro-selanylidene-lambda5-phosphane?
The IUPAC name of tert-butyl-dichloro-selanylidene-lambda5-phosphane (CID 15733913) is tert-butyl-dichloro-selanylidene-lambda5-phosphane.
What is the SMILES notation for tert-butyl-dichloro-selanylidene-lambda5-phosphane?
The canonical SMILES for tert-butyl-dichloro-selanylidene-lambda5-phosphane is CC(C)(C)P(Cl)(Cl)=[Se].
What is the InChIKey of tert-butyl-dichloro-selanylidene-lambda5-phosphane?
The InChIKey is XIWIHVROXBSSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2PSe/c1-4(2,3)7(5,6)8/h1-3H3.
What are the key properties of tert-butyl-dichloro-selanylidene-lambda5-phosphane?
tert-butyl-dichloro-selanylidene-lambda5-phosphane has a molecular weight of 237.96 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dichloro-selanylidene-lambda5-phosphane is sourced from PubChem (CID 15733913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).