azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide

C30H58BrNP+ — CID 174799231

IUPACazane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide
SMILESBr.C=CC[P+](CCCCCCCCCC)(CCCCCCCCCC)Cc1ccccc1.N
InChIInChI=1S/C30H54P.BrH.H3N/c1-4-7-9-11-13-15-17-22-27-31(26-6-3,29-30-24-20-19-21-25-30)28-23-18-16-14-12-10-8-5-2;;/h6,19-21,24-25H,3-5,7-18,22-23,26-29H2,1-2H3;1H;1H3/q+1;;
InChIKeyZGEROSJPGLCYBH-UHFFFAOYSA-N
MW543.68 g/mol
LogP11.41
Rot. Bonds22

About azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide

azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide (PubChem CID 174799231) has the molecular formula C30H58BrNP+ and a molecular weight of 543.68 g/mol. Its IUPAC name is azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide.

Molecular Properties

Compound Nameazane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide
PubChem CID174799231
Molecular FormulaC30H58BrNP+
Molecular Weight543.68 g/mol
Exact Mass542.35
IUPAC Nameazane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide
SMILESBr.C=CC[P+](CCCCCCCCCC)(CCCCCCCCCC)Cc1ccccc1.N
InChIInChI=1S/C30H54P.BrH.H3N/c1-4-7-9-11-13-15-17-22-27-31(26-6-3,29-30-24-20-19-21-25-30)28-23-18-16-14-12-10-8-5-2;;/h6,19-21,24-25H,3-5,7-18,22-23,26-29H2,1-2H3;1H;1H3/q+1;;
InChIKeyZGEROSJPGLCYBH-UHFFFAOYSA-N
XLogP11.41
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.68
LogP ≤ 511.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-dec-9-enyl-dioctylphosphanium
CID 67372457
dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
tribenzyl(decyl)phosphanium iodide
CID 69307604
dibenzyl-hexyl-propylphosphanium
CID 175204053
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
benzyl-tris(prop-2-enyl)phosphanium
CID 66801422
benzyl-tris(prop-2-enyl)phosphanium;ethene
CID 174788600
benzyl-pent-4-enyl-dipropylphosphanium
CID 69022756
benzyl-bis(hydroxymethyl)-octadecylphosphanium;tris(hydroxymethyl)-octadecylphosphanium;dichloride
CID 158311168
benzyl-dimethyl-pentadecylphosphanium
CID 157445205
benzyl-decyl-dimethylphosphanium chloride
CID 67153395

Frequently Asked Questions

What is the IUPAC name of azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide?
The IUPAC name of azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide (CID 174799231) is azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide.
What is the SMILES notation for azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide?
The canonical SMILES for azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide is Br.C=CC[P+](CCCCCCCCCC)(CCCCCCCCCC)Cc1ccccc1.N.
What is the InChIKey of azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide?
The InChIKey is ZGEROSJPGLCYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54P.BrH.H3N/c1-4-7-9-11-13-15-17-22-27-31(26-6-3,29-30-24-20-19-21-25-30)28-23-18-16-14-12-10-8-5-2;;/h6,19-21,24-25H,3-5,7-18,22-23,26-29H2,1-2H3;1H;1H3/q+1;;.
What are the key properties of azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide?
azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide has a molecular weight of 543.68 g/mol, XLogP of 11.41, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide is sourced from PubChem (CID 174799231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).