[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate

C26H43O4P — CID 89228265

IUPAC[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)COP(=O)(OC)OC
InChIInChI=1S/C26H43O4P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(6-2)25-30-31(27,28-3)29-4/h7-8,10-11,13-14,16-17,19-20,22-23,26H,5-6,9,12,15,18,21,24-25H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-
InChIKeyPFJRDMPMNXBCKO-XTJKPUCJSA-N
MW450.60 g/mol
LogP8.52
Rot. Bonds19

About [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate

[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate (PubChem CID 89228265) has the molecular formula C26H43O4P and a molecular weight of 450.60 g/mol. Its IUPAC name is [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate.

Molecular Properties

Compound Name[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate
PubChem CID89228265
Molecular FormulaC26H43O4P
Molecular Weight450.60 g/mol
Exact Mass450.29
IUPAC Name[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)COP(=O)(OC)OC
InChIInChI=1S/C26H43O4P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(6-2)25-30-31(27,28-3)29-4/h7-8,10-11,13-14,16-17,19-20,22-23,26H,5-6,9,12,15,18,21,24-25H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-
InChIKeyPFJRDMPMNXBCKO-XTJKPUCJSA-N
XLogP8.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 58.52
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 [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate with MolForge

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Related Compounds

tert-butyl [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] carbonate;[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenoxy]-methylphosphinic acid
CID 91282744
aminomethyl 2-(methoxymethyl)butyl methyl phosphate
CID 54539586
[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium
CID 54539585
[(5E,8E,11E,14E,17E)-2-ethyl-20-phosphonooxyicosa-5,8,11,14,17-pentaenyl] dihydrogen phosphate
CID 142700315
pentadeca-3,6,9,12-tetraene
CID 123748490
[(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium
CID 87559143
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
(4Z,7Z,10Z,13Z,16Z,19Z)-2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122253
2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91147022
(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
CID 10879603
2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate
CID 135224834
(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene
CID 10564737

Frequently Asked Questions

What is the IUPAC name of [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate?
The IUPAC name of [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate (CID 89228265) is [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate.
What is the SMILES notation for [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate?
The canonical SMILES for [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)COP(=O)(OC)OC.
What is the InChIKey of [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate?
The InChIKey is PFJRDMPMNXBCKO-XTJKPUCJSA-N. The full InChI is InChI=1S/C26H43O4P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(6-2)25-30-31(27,28-3)29-4/h7-8,10-11,13-14,16-17,19-20,22-23,26H,5-6,9,12,15,18,21,24-25H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-.
What are the key properties of [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate?
[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate has a molecular weight of 450.60 g/mol, XLogP of 8.52, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate is sourced from PubChem (CID 89228265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).