tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium

C32H68P+ — CID 59682355

IUPACtributyl(3,7,11,15-tetramethylhexadecyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C32H68P/c1-9-12-25-33(26-13-10-2,27-14-11-3)28-24-32(8)23-17-22-31(7)21-16-20-30(6)19-15-18-29(4)5/h29-32H,9-28H2,1-8H3/q+1
InChIKeyFEEFXSAYDRFCRM-UHFFFAOYSA-N
MW483.87 g/mol
LogP11.87
Rot. Bonds24

About tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium

tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium (PubChem CID 59682355) has the molecular formula C32H68P+ and a molecular weight of 483.87 g/mol. Its IUPAC name is tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium.

Molecular Properties

Compound Nametributyl(3,7,11,15-tetramethylhexadecyl)phosphanium
PubChem CID59682355
Molecular FormulaC32H68P+
Molecular Weight483.87 g/mol
Exact Mass483.51
IUPAC Nametributyl(3,7,11,15-tetramethylhexadecyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C32H68P/c1-9-12-25-33(26-13-10-2,27-14-11-3)28-24-32(8)23-17-22-31(7)21-16-20-30(6)19-15-18-29(4)5/h29-32H,9-28H2,1-8H3/q+1
InChIKeyFEEFXSAYDRFCRM-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.87
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453
2,6-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
2,6,10-trimethyldocosane
CID 175986851
2,6-dimethyltridecane
CID 524061
2,8-dimethylhexacosane
CID 91748840
2,6,10,14,19,23-hexamethylhexacosane
CID 6428620
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
5,9,17-trimethylhenicosane
CID 123913465
2-methyloctane;4-methyloctane;nonane
CID 160563952

Frequently Asked Questions

What is the IUPAC name of tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium?
The IUPAC name of tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium (CID 59682355) is tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium.
What is the SMILES notation for tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium?
The canonical SMILES for tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium is CCCC[P+](CCCC)(CCCC)CCC(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium?
The InChIKey is FEEFXSAYDRFCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68P/c1-9-12-25-33(26-13-10-2,27-14-11-3)28-24-32(8)23-17-22-31(7)21-16-20-30(6)19-15-18-29(4)5/h29-32H,9-28H2,1-8H3/q+1.
What are the key properties of tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium?
tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium has a molecular weight of 483.87 g/mol, XLogP of 11.87, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3,7,11,15-tetramethylhexadecyl)phosphanium is sourced from PubChem (CID 59682355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).