tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate

C60H99O4P — CID 122511254

IUPACtris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
SMILESCC(C)=CCC/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)CCC=C(C)C)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C60H99O4P/c1-49(2)25-16-28-52(7)31-19-34-55(10)37-22-40-58(13)43-46-62-65(61,63-47-44-59(14)41-23-38-56(11)35-20-32-53(8)29-17-26-50(3)4)64-48-45-60(15)42-24-39-57(12)36-21-33-54(9)30-18-27-51(5)6/h25-27,31-33,37-39,43-45H,16-24,28-30,34-36,40-42,46-48H2,1-15H3/b52-31-,53-32-,54-33-,55-37-,56-38-,57-39-,58-43-,59-44-,60-45-
InChIKeyDQJOCZJGYOJSBH-KKUXIMHGSA-N
MW915.42 g/mol
LogP20.58
Rot. Bonds36

About tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate

tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate (PubChem CID 122511254) has the molecular formula C60H99O4P and a molecular weight of 915.42 g/mol. Its IUPAC name is tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate.

Molecular Properties

Compound Nametris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
PubChem CID122511254
Molecular FormulaC60H99O4P
Molecular Weight915.42 g/mol
Exact Mass914.73
IUPAC Nametris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate
SMILESCC(C)=CCC/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)CCC=C(C)C)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C60H99O4P/c1-49(2)25-16-28-52(7)31-19-34-55(10)37-22-40-58(13)43-46-62-65(61,63-47-44-59(14)41-23-38-56(11)35-20-32-53(8)29-17-26-50(3)4)64-48-45-60(15)42-24-39-57(12)36-21-33-54(9)30-18-27-51(5)6/h25-27,31-33,37-39,43-45H,16-24,28-30,34-36,40-42,46-48H2,1-15H3/b52-31-,53-32-,54-33-,55-37-,56-38-,57-39-,58-43-,59-44-,60-45-
InChIKeyDQJOCZJGYOJSBH-KKUXIMHGSA-N
XLogP20.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.42
LogP ≤ 520.58
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 tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate with MolForge

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Related Compounds

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] dimethyl phosphate
CID 12949387
[(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
disodium;[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
CID 11791843
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphate
CID 146014787
[(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)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;phosphoric acid
CID 174363137
[[(2E)-3,7-dimethylocta-2,6-dienoxy]-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phosphoryl] [hydroxy(phosphonooxy)phosphoryl] 3,7,11-trimethyldodeca-2,6,10-trienyl phosphate
CID 174057821
dilithium;[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
CID 155290577
phosphono [(2Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
CID 141397714

Frequently Asked Questions

What is the IUPAC name of tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate?
The IUPAC name of tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate (CID 122511254) is tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate.
What is the SMILES notation for tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate?
The canonical SMILES for tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate is CC(C)=CCC/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)CCC=C(C)C)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C.
What is the InChIKey of tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate?
The InChIKey is DQJOCZJGYOJSBH-KKUXIMHGSA-N. The full InChI is InChI=1S/C60H99O4P/c1-49(2)25-16-28-52(7)31-19-34-55(10)37-22-40-58(13)43-46-62-65(61,63-47-44-59(14)41-23-38-56(11)35-20-32-53(8)29-17-26-50(3)4)64-48-45-60(15)42-24-39-57(12)36-21-33-54(9)30-18-27-51(5)6/h25-27,31-33,37-39,43-45H,16-24,28-30,34-36,40-42,46-48H2,1-15H3/b52-31-,53-32-,54-33-,55-37-,56-38-,57-39-,58-43-,59-44-,60-45-.
What are the key properties of tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate?
tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate has a molecular weight of 915.42 g/mol, XLogP of 20.58, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] phosphate is sourced from PubChem (CID 122511254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).