1-bromopropyl(triethyl)phosphanium

C9H21BrP+ — CID 21257940

IUPAC1-bromopropyl(triethyl)phosphanium
SMILESCCC(Br)[P+](CC)(CC)CC
InChIInChI=1S/C9H21BrP/c1-5-9(10)11(6-2,7-3)8-4/h9H,5-8H2,1-4H3/q+1
InChIKeyWTSASPIUXFFXGS-UHFFFAOYSA-N
MW240.14 g/mol
LogP4.19
Rot. Bonds5

About 1-bromopropyl(triethyl)phosphanium

1-bromopropyl(triethyl)phosphanium (PubChem CID 21257940) has the molecular formula C9H21BrP+ and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-bromopropyl(triethyl)phosphanium.

Molecular Properties

Compound Name1-bromopropyl(triethyl)phosphanium
PubChem CID21257940
Molecular FormulaC9H21BrP+
Molecular Weight240.14 g/mol
Exact Mass239.06
IUPAC Name1-bromopropyl(triethyl)phosphanium
SMILESCCC(Br)[P+](CC)(CC)CC
InChIInChI=1S/C9H21BrP/c1-5-9(10)11(6-2,7-3)8-4/h9H,5-8H2,1-4H3/q+1
InChIKeyWTSASPIUXFFXGS-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromopropyl(triethyl)phosphanium?
The IUPAC name of 1-bromopropyl(triethyl)phosphanium (CID 21257940) is 1-bromopropyl(triethyl)phosphanium.
What is the SMILES notation for 1-bromopropyl(triethyl)phosphanium?
The canonical SMILES for 1-bromopropyl(triethyl)phosphanium is CCC(Br)[P+](CC)(CC)CC.
What is the InChIKey of 1-bromopropyl(triethyl)phosphanium?
The InChIKey is WTSASPIUXFFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrP/c1-5-9(10)11(6-2,7-3)8-4/h9H,5-8H2,1-4H3/q+1.
What are the key properties of 1-bromopropyl(triethyl)phosphanium?
1-bromopropyl(triethyl)phosphanium has a molecular weight of 240.14 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropyl(triethyl)phosphanium is sourced from PubChem (CID 21257940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).