1-bromo-1,1-ditert-butyl-1λ5-phosphinane

C13H28BrP — CID 134984375

IUPAC1-bromo-1,1-ditert-butyl-1λ5-phosphinane
SMILESCC(C)(C)P1(Br)(C(C)(C)C)CCCCC1
InChIInChI=1S/C13H28BrP/c1-12(2,3)15(14,13(4,5)6)10-8-7-9-11-15/h7-11H2,1-6H3
InChIKeyDEJJSYULVLPCDX-UHFFFAOYSA-N
MW295.25 g/mol
LogP5.63
Rot. Bonds

About 1-bromo-1,1-ditert-butyl-1λ5-phosphinane

1-bromo-1,1-ditert-butyl-1λ5-phosphinane (PubChem CID 134984375) has the molecular formula C13H28BrP and a molecular weight of 295.25 g/mol. Its IUPAC name is 1-bromo-1,1-ditert-butyl-1λ5-phosphinane.

Molecular Properties

Compound Name1-bromo-1,1-ditert-butyl-1λ5-phosphinane
PubChem CID134984375
Molecular FormulaC13H28BrP
Molecular Weight295.25 g/mol
Exact Mass294.11
IUPAC Name1-bromo-1,1-ditert-butyl-1λ5-phosphinane
SMILESCC(C)(C)P1(Br)(C(C)(C)C)CCCCC1
InChIInChI=1S/C13H28BrP/c1-12(2,3)15(14,13(4,5)6)10-8-7-9-11-15/h7-11H2,1-6H3
InChIKeyDEJJSYULVLPCDX-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.25
LogP ≤ 55.63
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

1-(Propan-2-yl)phosphinane
CID 15608185
1,1-Dimethylphosphinan-1-ium
CID 357582
1-Tert-butylphosphinane
CID 15608187
1-Propan-2-yl-1-sulfanylidene-1lambda5-phosphinane
CID 21677599
1-Tert-butyl-1-sulfanylidene-1lambda5-phosphinane
CID 21677600
1-Bromo-1,1-ditert-butyl-4-methyl-1lambda5-phosphinane
CID 134993886
1,1-Ditert-butylphosphinan-1-ium bromide
CID 176444798
1,1-Ditert-butyl-4-methylphosphinan-1-ium bromide
CID 176444803
1,1-Dimethylphosphinan-1-ium bromide
CID 357581
1,1-Diethylphosphinan-1-ium
CID 357593
1-Propylphosphinane
CID 14178412
1-Butylphosphinane
CID 15608183

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1-ditert-butyl-1λ5-phosphinane?
The IUPAC name of 1-bromo-1,1-ditert-butyl-1λ5-phosphinane (CID 134984375) is 1-bromo-1,1-ditert-butyl-1λ5-phosphinane.
What is the SMILES notation for 1-bromo-1,1-ditert-butyl-1λ5-phosphinane?
The canonical SMILES for 1-bromo-1,1-ditert-butyl-1λ5-phosphinane is CC(C)(C)P1(Br)(C(C)(C)C)CCCCC1.
What is the InChIKey of 1-bromo-1,1-ditert-butyl-1λ5-phosphinane?
The InChIKey is DEJJSYULVLPCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrP/c1-12(2,3)15(14,13(4,5)6)10-8-7-9-11-15/h7-11H2,1-6H3.
What are the key properties of 1-bromo-1,1-ditert-butyl-1λ5-phosphinane?
1-bromo-1,1-ditert-butyl-1λ5-phosphinane has a molecular weight of 295.25 g/mol, XLogP of 5.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1-ditert-butyl-1λ5-phosphinane is sourced from PubChem (CID 134984375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).