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

C120H196O7P2 — CID 118025714

About 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

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 (PubChem CID 118025714) has the molecular formula C120H196O7P2 and a molecular weight of 1812.83 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 118025714
• Molecular Formula: C120H196O7P2
• Molecular Weight: 1812.83 g/mol
• Exact Mass: 1811.45
• IUPAC Name: 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
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OP(=O)(OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C120H196O7P2/c1-97(2)49-29-53-101(9)57-33-61-105(13)65-37-69-109(17)73-41-77-113(21)81-45-85-117(25)89-93-123-128(121,124-94-90-118(26)86-46-82-114(22)78-42-74-110(18)70-38-66-106(14)62-34-58-102(10)54-30-50-98(3)4)127-129(122,125-95-91-119(27)87-47-83-115(23)79-43-75-111(19)71-39-67-107(15)63-35-59-103(11)55-31-51-99(5)6)126-96-92-120(28)88-48-84-116(24)80-44-76-112(20)72-40-68-108(16)64-36-60-104(12)56-32-52-100(7)8/h49-52,57-60,65-68,73-76,81-84,89-92H,29-48,53-56,61-64,69-72,77-80,85-88,93-96H2,1-28H3/b101-57+,102-58+,103-59+,104-60+,105-65+,106-66+,107-67+,108-68+,109-73+,110-74+,111-75+,112-76+,113-81+,114-82+,115-83+,116-84+,117-89+,118-90+,119-91+,120-92+
• InChIKey: MOIUYRRTCTWOSB-DMRSOMOISA-N
• XLogP: 41.68
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 74
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1812.83
LogP ≤ 5	41.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OP(=O)(OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.

What is the InChIKey of 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?

The InChIKey is MOIUYRRTCTWOSB-DMRSOMOISA-N. The full InChI is InChI=1S/C120H196O7P2/c1-97(2)49-29-53-101(9)57-33-61-105(13)65-37-69-109(17)73-41-77-113(21)81-45-85-117(25)89-93-123-128(121,124-94-90-118(26)86-46-82-114(22)78-42-74-110(18)70-38-66-106(14)62-34-58-102(10)54-30-50-98(3)4)127-129(122,125-95-91-119(27)87-47-83-115(23)79-43-75-111(19)71-39-67-107(15)63-35-59-103(11)55-31-51-99(5)6)126-96-92-120(28)88-48-84-116(24)80-44-76-112(20)72-40-68-108(16)64-36-60-104(12)56-32-52-100(7)8/h49-52,57-60,65-68,73-76,81-84,89-92H,29-48,53-56,61-64,69-72,77-80,85-88,93-96H2,1-28H3/b101-57+,102-58+,103-59+,104-60+,105-65+,106-66+,107-67+,108-68+,109-73+,110-74+,111-75+,112-76+,113-81+,114-82+,115-83+,116-84+,117-89+,118-90+,119-91+,120-92+.

What are the key properties of 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?

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 has a molecular weight of 1812.83 g/mol, XLogP of 41.68, 74 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 118025714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).