dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate

C10H17Li2O4P — CID 155290577

IUPACdilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
SMILESCC(C)=CCC/C(C)=C/COP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C10H19O4P.2Li/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13;;/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13);;/q;2*+1/p-2/b10-7+;;
InChIKeyLEPMLCHRGMSDTM-WRQJSNHTSA-L
MW246.10 g/mol
LogP-4.47
Rot. Bonds6

About dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate

dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate (PubChem CID 155290577) has the molecular formula C10H17Li2O4P and a molecular weight of 246.10 g/mol. Its IUPAC name is dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate.

Molecular Properties

Compound Namedilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
PubChem CID155290577
Molecular FormulaC10H17Li2O4P
Molecular Weight246.10 g/mol
Exact Mass246.12
IUPAC Namedilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
SMILESCC(C)=CCC/C(C)=C/COP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C10H19O4P.2Li/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13;;/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13);;/q;2*+1/p-2/b10-7+;;
InChIKeyLEPMLCHRGMSDTM-WRQJSNHTSA-L
XLogP-4.47
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate 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

[(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
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
[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
tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
CID 122511254
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;phosphoric acid
CID 174363137
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;3,7,11-trimethyldodeca-2,6,10-trienyl dihydrogen phosphate
CID 174760400
[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,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-undecaenyl] dihydrogen phosphate
CID 11388871
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
CID 10357552
bis[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenoxy]phosphoryl bis[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphate
CID 118025714

Frequently Asked Questions

What is the IUPAC name of dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate?
The IUPAC name of dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate (CID 155290577) is dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate.
What is the SMILES notation for dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate?
The canonical SMILES for dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate is CC(C)=CCC/C(C)=C/COP(=O)([O-])[O-].[Li+].[Li+].
What is the InChIKey of dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate?
The InChIKey is LEPMLCHRGMSDTM-WRQJSNHTSA-L. The full InChI is InChI=1S/C10H19O4P.2Li/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13;;/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13);;/q;2*+1/p-2/b10-7+;;.
What are the key properties of dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate?
dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate has a molecular weight of 246.10 g/mol, XLogP of -4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate is sourced from PubChem (CID 155290577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).