bromo(tripropyl)phosphanium

C18H42Br2P2+2 — CID 177091751

IUPACbromo(tripropyl)phosphanium
SMILESCCC[P+](Br)(CCC)CCC.CCC[P+](Br)(CCC)CCC
InChIInChI=1S/2C9H21BrP/c2*1-4-7-11(10,8-5-2)9-6-3/h2*4-9H2,1-3H3/q2*+1
InChIKeyXACVVNKMNZSHPP-UHFFFAOYSA-N
MW480.29 g/mol
LogP9.09
Rot. Bonds12

About bromo(tripropyl)phosphanium

bromo(tripropyl)phosphanium (PubChem CID 177091751) has the molecular formula C18H42Br2P2+2 and a molecular weight of 480.29 g/mol. Its IUPAC name is bromo(tripropyl)phosphanium.

Molecular Properties

Compound Namebromo(tripropyl)phosphanium
PubChem CID177091751
Molecular FormulaC18H42Br2P2+2
Molecular Weight480.29 g/mol
Exact Mass478.11
IUPAC Namebromo(tripropyl)phosphanium
SMILESCCC[P+](Br)(CCC)CCC.CCC[P+](Br)(CCC)CCC
InChIInChI=1S/2C9H21BrP/c2*1-4-7-11(10,8-5-2)9-6-3/h2*4-9H2,1-3H3/q2*+1
InChIKeyXACVVNKMNZSHPP-UHFFFAOYSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.29
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo(tripropyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromo(tributyl)phosphanium bromide
CID 11111219
1-bromobutylsilane
CID 174507428
3-bromohexane
CID 18806
1-bromo-1-iodobutane
CID 22138270
tetrapropylphosphanium fluoride
CID 23053641
boranuide;tetrapropylphosphanium
CID 14746814
tetrapropylphosphanium bromide
CID 11011483
4-bromo-5-propyloctane
CID 83050425
trimethyl(propyl)phosphanium chloride
CID 87777347
6,8-dibromotridecan-7-one
CID 87601388
12-bromodotriacontane
CID 122613066
6-bromopentadecane
CID 86639780

Frequently Asked Questions

What is the IUPAC name of bromo(tripropyl)phosphanium?
The IUPAC name of bromo(tripropyl)phosphanium (CID 177091751) is bromo(tripropyl)phosphanium.
What is the SMILES notation for bromo(tripropyl)phosphanium?
The canonical SMILES for bromo(tripropyl)phosphanium is CCC[P+](Br)(CCC)CCC.CCC[P+](Br)(CCC)CCC.
What is the InChIKey of bromo(tripropyl)phosphanium?
The InChIKey is XACVVNKMNZSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H21BrP/c2*1-4-7-11(10,8-5-2)9-6-3/h2*4-9H2,1-3H3/q2*+1.
What are the key properties of bromo(tripropyl)phosphanium?
bromo(tripropyl)phosphanium has a molecular weight of 480.29 g/mol, XLogP of 9.09, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(tripropyl)phosphanium is sourced from PubChem (CID 177091751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).