bromo(ditert-butyl)phosphane

C8H18BrP — CID 14341083

IUPACbromo(ditert-butyl)phosphane
SMILESCC(C)(C)P(Br)C(C)(C)C
InChIInChI=1S/C8H18BrP/c1-7(2,3)10(9)8(4,5)6/h1-6H3
InChIKeyDFXVHMWBGFOKIQ-UHFFFAOYSA-N
MW225.11 g/mol
LogP4.38
Rot. Bonds

About bromo(ditert-butyl)phosphane

bromo(ditert-butyl)phosphane (PubChem CID 14341083) has the molecular formula C8H18BrP and a molecular weight of 225.11 g/mol. Its IUPAC name is bromo(ditert-butyl)phosphane.

Molecular Properties

Compound Namebromo(ditert-butyl)phosphane
PubChem CID14341083
Molecular FormulaC8H18BrP
Molecular Weight225.11 g/mol
Exact Mass224.03
IUPAC Namebromo(ditert-butyl)phosphane
SMILESCC(C)(C)P(Br)C(C)(C)C
InChIInChI=1S/C8H18BrP/c1-7(2,3)10(9)8(4,5)6/h1-6H3
InChIKeyDFXVHMWBGFOKIQ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(ditert-butyl)phosphane?
The IUPAC name of bromo(ditert-butyl)phosphane (CID 14341083) is bromo(ditert-butyl)phosphane.
What is the SMILES notation for bromo(ditert-butyl)phosphane?
The canonical SMILES for bromo(ditert-butyl)phosphane is CC(C)(C)P(Br)C(C)(C)C.
What is the InChIKey of bromo(ditert-butyl)phosphane?
The InChIKey is DFXVHMWBGFOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrP/c1-7(2,3)10(9)8(4,5)6/h1-6H3.
What are the key properties of bromo(ditert-butyl)phosphane?
bromo(ditert-butyl)phosphane has a molecular weight of 225.11 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(ditert-butyl)phosphane is sourced from PubChem (CID 14341083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).