(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one

C26H39NO2 — CID 90008831

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)CN1CCOCC1
InChIInChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(28)25-27-21-23-29-24-22-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyPDSJFUMEJHOMLS-KUBAVDMBSA-N
MW397.60 g/mol
LogP5.98
Rot. Bonds15

About (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one

(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one (PubChem CID 90008831) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one
PubChem CID90008831
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)CN1CCOCC1
InChIInChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(28)25-27-21-23-29-24-22-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyPDSJFUMEJHOMLS-KUBAVDMBSA-N
XLogP5.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one (CID 90008831) is (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)CN1CCOCC1.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one?
The InChIKey is PDSJFUMEJHOMLS-KUBAVDMBSA-N. The full InChI is InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(28)25-27-21-23-29-24-22-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one?
(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one has a molecular weight of 397.60 g/mol, XLogP of 5.98, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-2-one is sourced from PubChem (CID 90008831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).