bromo(tributyl)phosphanium bromide

C12H27Br2P — CID 11111219

IUPACbromo(tributyl)phosphanium bromide
SMILESCCCC[P+](Br)(CCCC)CCCC.[Br-]
InChIInChI=1S/C12H27BrP.BrH/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1
InChIKeyCXMROCCRQCELDD-UHFFFAOYSA-M
MW362.13 g/mol
LogP2.72
Rot. Bonds9

About bromo(tributyl)phosphanium bromide

bromo(tributyl)phosphanium bromide (PubChem CID 11111219) has the molecular formula C12H27Br2P and a molecular weight of 362.13 g/mol. Its IUPAC name is bromo(tributyl)phosphanium bromide.

Molecular Properties

Compound Namebromo(tributyl)phosphanium bromide
PubChem CID11111219
Molecular FormulaC12H27Br2P
Molecular Weight362.13 g/mol
Exact Mass360.02
IUPAC Namebromo(tributyl)phosphanium bromide
SMILESCCCC[P+](Br)(CCCC)CCCC.[Br-]
InChIInChI=1S/C12H27BrP.BrH/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1
InChIKeyCXMROCCRQCELDD-UHFFFAOYSA-M
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo(tributyl)phosphanium bromide 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(tripropyl)phosphanium
CID 177091751
3-(dibromomethyl)heptane
CID 87164380
2-bromohexanoic acid;ethane
CID 88646283
(3R)-1,3-dibromoheptane
CID 129379896
(2R)-2-bromohexan-1-ol
CID 131142096
2,4-dibromooctane
CID 150795215
tributyl(pentadecyl)phosphanium bromide
CID 86639781
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(methyl)phosphanium
CID 2760115
pentane;stannane
CID 173279416

Frequently Asked Questions

What is the IUPAC name of bromo(tributyl)phosphanium bromide?
The IUPAC name of bromo(tributyl)phosphanium bromide (CID 11111219) is bromo(tributyl)phosphanium bromide.
What is the SMILES notation for bromo(tributyl)phosphanium bromide?
The canonical SMILES for bromo(tributyl)phosphanium bromide is CCCC[P+](Br)(CCCC)CCCC.[Br-].
What is the InChIKey of bromo(tributyl)phosphanium bromide?
The InChIKey is CXMROCCRQCELDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27BrP.BrH/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1.
What are the key properties of bromo(tributyl)phosphanium bromide?
bromo(tributyl)phosphanium bromide has a molecular weight of 362.13 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(tributyl)phosphanium bromide is sourced from PubChem (CID 11111219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).