disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate

C15H25Na2O4P — CID 11791843

IUPACdisodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C15H27O4P.2Na/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18;;/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18);;/q;2*+1/p-2/b14-9-,15-11-;;
InChIKeyWDEMLXHWOYWXDZ-XPYRFINYSA-L
MW346.32 g/mol
LogP-2.74
Rot. Bonds9

About disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate

disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate (PubChem CID 11791843) has the molecular formula C15H25Na2O4P and a molecular weight of 346.32 g/mol. Its IUPAC name is disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate.

Molecular Properties

Compound Namedisodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
PubChem CID11791843
Molecular FormulaC15H25Na2O4P
Molecular Weight346.32 g/mol
Exact Mass346.13
IUPAC Namedisodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C15H27O4P.2Na/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18;;/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18);;/q;2*+1/p-2/b14-9-,15-11-;;
InChIKeyWDEMLXHWOYWXDZ-XPYRFINYSA-L
XLogP-2.74
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 5-2.74
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 disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate with MolForge

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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
dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
CID 155290577
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;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
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;phosphoric acid
CID 174363137

Frequently Asked Questions

What is the IUPAC name of disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate?
The IUPAC name of disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate (CID 11791843) is disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate.
What is the SMILES notation for disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate?
The canonical SMILES for disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate is CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate?
The InChIKey is WDEMLXHWOYWXDZ-XPYRFINYSA-L. The full InChI is InChI=1S/C15H27O4P.2Na/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18;;/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18);;/q;2*+1/p-2/b14-9-,15-11-;;.
What are the key properties of disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate?
disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate has a molecular weight of 346.32 g/mol, XLogP of -2.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate is sourced from PubChem (CID 11791843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).