ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)

C66H139N2O3P — CID 141082200

IUPACethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)
SMILESC=CP(=O)([O-])[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/2C32H68N.C2H5O3P/c2*1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(6-2,7-3)8-4;1-2-6(3,4)5/h2*5-32H2,1-4H3;2H,1H2,(H2,3,4,5)/q2*+1;/p-2
InChIKeyBCIICWCHMBMZDU-UHFFFAOYSA-L
MW1039.82 g/mol
LogP21.53
Rot. Bonds57

About ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)

ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium) (PubChem CID 141082200) has the molecular formula C66H139N2O3P and a molecular weight of 1039.82 g/mol. Its IUPAC name is ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium).

Molecular Properties

Compound Nameethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)
PubChem CID141082200
Molecular FormulaC66H139N2O3P
Molecular Weight1039.82 g/mol
Exact Mass1039.05
IUPAC Nameethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)
SMILESC=CP(=O)([O-])[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/2C32H68N.C2H5O3P/c2*1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(6-2,7-3)8-4;1-2-6(3,4)5/h2*5-32H2,1-4H3;2H,1H2,(H2,3,4,5)/q2*+1;/p-2
InChIKeyBCIICWCHMBMZDU-UHFFFAOYSA-L
XLogP21.53
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds57
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.82
LogP ≤ 521.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tris(dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethylazanium) diphosphate
CID 22362194
dodecyl(triethyl)azanium;phosphoric acid
CID 87142595
triethyl(tetradecyl)azanium
CID 28911
phosphoric acid;triethyl(pentyl)azanium
CID 87212013
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(tetracosyl)azanium bromide
CID 153322859
triethyl(icosyl)azanium chloride
CID 141198165
triethyl(tridecyl)azanium bromide
CID 14647396
triethyl(tetradecyl)azanium iodide
CID 87777336
docosyl(triethyl)azanium bromide
CID 71358281
docosyl(triethyl)azanium chloride
CID 42638705

Frequently Asked Questions

What is the IUPAC name of ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)?
The IUPAC name of ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium) (CID 141082200) is ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium).
What is the SMILES notation for ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)?
The canonical SMILES for ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium) is C=CP(=O)([O-])[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.
What is the InChIKey of ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)?
The InChIKey is BCIICWCHMBMZDU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C32H68N.C2H5O3P/c2*1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(6-2,7-3)8-4;1-2-6(3,4)5/h2*5-32H2,1-4H3;2H,1H2,(H2,3,4,5)/q2*+1;/p-2.
What are the key properties of ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)?
ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium) has a molecular weight of 1039.82 g/mol, XLogP of 21.53, 57 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium) is sourced from PubChem (CID 141082200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).