triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate

C11H31N3O6P2 — CID 11222230

IUPACtriazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate
SMILESCC(C)=CCC/C(C)=C/CCP(=O)([O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C11H22O6P2.3H3N/c1-10(2)6-4-7-11(3)8-5-9-18(12,13)17-19(14,15)16;;;/h6,8H,4-5,7,9H2,1-3H3,(H,12,13)(H2,14,15,16);3*1H3/b11-8+;;;
InChIKeyQVXNYKVEDDSUNN-CYXWJPPTSA-N
MW363.33 g/mol
LogP2.60
Rot. Bonds8

About triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate

triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate (PubChem CID 11222230) has the molecular formula C11H31N3O6P2 and a molecular weight of 363.33 g/mol. Its IUPAC name is triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate.

Molecular Properties

Compound Nametriazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate
PubChem CID11222230
Molecular FormulaC11H31N3O6P2
Molecular Weight363.33 g/mol
Exact Mass363.17
IUPAC Nametriazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate
SMILESCC(C)=CCC/C(C)=C/CCP(=O)([O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C11H22O6P2.3H3N/c1-10(2)6-4-7-11(3)8-5-9-18(12,13)17-19(14,15)16;;;/h6,8H,4-5,7,9H2,1-3H3,(H,12,13)(H2,14,15,16);3*1H3/b11-8+;;;
InChIKeyQVXNYKVEDDSUNN-CYXWJPPTSA-N
XLogP2.60
TPSA222.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[oxido-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] phosphate
CID 25245563
[oxido-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] phosphate
CID 134692049
phosphonatooxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylphosphinate
CID 23420293
[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] phosphate
CID 25245635
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphate
CID 146014787
disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
CID 11791843
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
CID 155290577
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(6E)-9-diethoxyphosphoryl-2,6-dimethylnona-2,6-diene
CID 11335218
disodium;[(2Z,6Z,10Z,14Z,19E,23Z,27Z,31E,35E,39E)-3,7,11,15,20,24,28,32,36,40,44-undecamethylpentatetraconta-2,6,10,14,19,23,27,31,35,39,43-undecaenyl] phosphate
CID 10509982
[ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane
CID 21197638

Frequently Asked Questions

What is the IUPAC name of triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate?
The IUPAC name of triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate (CID 11222230) is triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate.
What is the SMILES notation for triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate?
The canonical SMILES for triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate is CC(C)=CCC/C(C)=C/CCP(=O)([O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate?
The InChIKey is QVXNYKVEDDSUNN-CYXWJPPTSA-N. The full InChI is InChI=1S/C11H22O6P2.3H3N/c1-10(2)6-4-7-11(3)8-5-9-18(12,13)17-19(14,15)16;;;/h6,8H,4-5,7,9H2,1-3H3,(H,12,13)(H2,14,15,16);3*1H3/b11-8+;;;.
What are the key properties of triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate?
triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate has a molecular weight of 363.33 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;[(3E)-4,8-dimethylnona-3,7-dienyl]-phosphonatooxyphosphinate is sourced from PubChem (CID 11222230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).