bromo-ditert-butyl-chloro-methyl-lambda5-phosphane

C9H21BrClP — CID 12603460

IUPACbromo-ditert-butyl-chloro-methyl-lambda5-phosphane
SMILESCC(C)(C)P(C)(Cl)(Br)C(C)(C)C
InChIInChI=1S/C9H21BrClP/c1-8(2,3)12(7,10,11)9(4,5)6/h1-7H3
InChIKeyZYAYHQVNTPCVJT-UHFFFAOYSA-N
MW275.60 g/mol
LogP5.23
Rot. Bonds

About bromo-ditert-butyl-chloro-methyl-lambda5-phosphane

bromo-ditert-butyl-chloro-methyl-lambda5-phosphane (PubChem CID 12603460) has the molecular formula C9H21BrClP and a molecular weight of 275.60 g/mol. Its IUPAC name is bromo-ditert-butyl-chloro-methyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-ditert-butyl-chloro-methyl-lambda5-phosphane
PubChem CID12603460
Molecular FormulaC9H21BrClP
Molecular Weight275.60 g/mol
Exact Mass274.03
IUPAC Namebromo-ditert-butyl-chloro-methyl-lambda5-phosphane
SMILESCC(C)(C)P(C)(Cl)(Br)C(C)(C)C
InChIInChI=1S/C9H21BrClP/c1-8(2,3)12(7,10,11)9(4,5)6/h1-7H3
InChIKeyZYAYHQVNTPCVJT-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.60
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tris(1,1-dimethylethyl)phosphine
CID 83681
Di-tert-butylchlorophosphine
CID 139566
Di-tert-butylmethylphosphine
CID 4190634
Chloro(tri-tert-butylphosphine)gold(I)
CID 11958185
2-Butyl-tert-butylchlorophosphine
CID 12625174
Tri(t-butyl)methylenphosphoran
CID 12605259
Di-tert-butylbromophosphine
CID 14341083
Bromo(tritert-butyl)phosphanium
CID 23414011
Ditert-butyl(dimethyl)phosphanium
CID 85912260
Bromo(tri-tert-butylphosphine)palladium(I) dimer
CID 71317307
n-Butyl tert-butyl chlorophosphine
CID 12507378
Ditert-butyl-methyl-methylidene-lambda5-phosphane
CID 12565623

Frequently Asked Questions

What is the IUPAC name of bromo-ditert-butyl-chloro-methyl-lambda5-phosphane?
The IUPAC name of bromo-ditert-butyl-chloro-methyl-lambda5-phosphane (CID 12603460) is bromo-ditert-butyl-chloro-methyl-lambda5-phosphane.
What is the SMILES notation for bromo-ditert-butyl-chloro-methyl-lambda5-phosphane?
The canonical SMILES for bromo-ditert-butyl-chloro-methyl-lambda5-phosphane is CC(C)(C)P(C)(Cl)(Br)C(C)(C)C.
What is the InChIKey of bromo-ditert-butyl-chloro-methyl-lambda5-phosphane?
The InChIKey is ZYAYHQVNTPCVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrClP/c1-8(2,3)12(7,10,11)9(4,5)6/h1-7H3.
What are the key properties of bromo-ditert-butyl-chloro-methyl-lambda5-phosphane?
bromo-ditert-butyl-chloro-methyl-lambda5-phosphane has a molecular weight of 275.60 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-ditert-butyl-chloro-methyl-lambda5-phosphane is sourced from PubChem (CID 12603460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).