[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate

C70H115O4P-2 — CID 91819910

About [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate

[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate (PubChem CID 91819910) has the molecular formula C70H115O4P-2 and a molecular weight of 1051.66 g/mol. Its IUPAC name is [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate.

Molecular Properties

• Compound Name: [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate
• PubChem CID: 91819910
• Molecular Formula: C70H115O4P-2
• Molecular Weight: 1051.66 g/mol
• Exact Mass: 1050.85
• IUPAC Name: [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)([O-])[O-]
• InChI: InChI=1S/C70H117O4P/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-74-75(71,72)73/h29,31,33,35,37,39,41,43,45,47,49,51,53,70H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54-56H2,1-15H3,(H2,71,72,73)/p-2/b58-31+,59-33+,60-35-,61-37-,62-39-,63-41-,64-43-,65-45-,66-47-,67-49-,68-51-,69-53-
• InChIKey: HEEYBOURDAHIRM-YEPMOUTASA-L
• XLogP: 22.32
• TPSA: 72.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 43
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.66
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate?

The IUPAC name of [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate (CID 91819910) is [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate.

What is the SMILES notation for [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate?

The canonical SMILES for [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)([O-])[O-].

What is the InChIKey of [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate?

The InChIKey is HEEYBOURDAHIRM-YEPMOUTASA-L. The full InChI is InChI=1S/C70H117O4P/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-74-75(71,72)73/h29,31,33,35,37,39,41,43,45,47,49,51,53,70H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54-56H2,1-15H3,(H2,71,72,73)/p-2/b58-31+,59-33+,60-35-,61-37-,62-39-,63-41-,64-43-,65-45-,66-47-,67-49-,68-51-,69-53-.

What are the key properties of [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate?

[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate has a molecular weight of 1051.66 g/mol, XLogP of 22.32, 43 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethylhexapentaconta-6,10,14,18,22,26,30,34,38,42,46,50,54-tridecaenyl] phosphate is sourced from PubChem (CID 91819910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).