bromo(butyl)phosphane

C16H40Br4P4 — CID 142636402

IUPACbromo(butyl)phosphane
SMILESCCCCPBr.CCCCPBr.CCCCPBr.CCCCPBr
InChIInChI=1S/4C4H10BrP/c4*1-2-3-4-6-5/h4*6H,2-4H2,1H3
InChIKeyXOEBHXOUHRWOSU-UHFFFAOYSA-N
MW676.01 g/mol
LogP11.10
Rot. Bonds12

About bromo(butyl)phosphane

bromo(butyl)phosphane (PubChem CID 142636402) has the molecular formula C16H40Br4P4 and a molecular weight of 676.01 g/mol. Its IUPAC name is bromo(butyl)phosphane.

Molecular Properties

Compound Namebromo(butyl)phosphane
PubChem CID142636402
Molecular FormulaC16H40Br4P4
Molecular Weight676.01 g/mol
Exact Mass671.88
IUPAC Namebromo(butyl)phosphane
SMILESCCCCPBr.CCCCPBr.CCCCPBr.CCCCPBr
InChIInChI=1S/4C4H10BrP/c4*1-2-3-4-6-5/h4*6H,2-4H2,1H3
InChIKeyXOEBHXOUHRWOSU-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.01
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(butyl)phosphane?
The IUPAC name of bromo(butyl)phosphane (CID 142636402) is bromo(butyl)phosphane.
What is the SMILES notation for bromo(butyl)phosphane?
The canonical SMILES for bromo(butyl)phosphane is CCCCPBr.CCCCPBr.CCCCPBr.CCCCPBr.
What is the InChIKey of bromo(butyl)phosphane?
The InChIKey is XOEBHXOUHRWOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10BrP/c4*1-2-3-4-6-5/h4*6H,2-4H2,1H3.
What are the key properties of bromo(butyl)phosphane?
bromo(butyl)phosphane has a molecular weight of 676.01 g/mol, XLogP of 11.10, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(butyl)phosphane is sourced from PubChem (CID 142636402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).