copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)

C26H38CuN2O4 — CID 5475131

IUPACcopper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=C/C1=C/NCCCCCCO.O=C1C=CC=C/C1=C/NCCCCCCO.[Cu]
InChIInChI=1S/2C13H19NO2.Cu/c2*15-10-6-2-1-5-9-14-11-12-7-3-4-8-13(12)16;/h2*3-4,7-8,11,14-15H,1-2,5-6,9-10H2;/b2*12-11-;
InChIKeyAEFGZCYQCWBUGQ-ZELJJWTBSA-N
MW506.15 g/mol
LogP3.41
Rot. Bonds14

About copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)

copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 5475131) has the molecular formula C26H38CuN2O4 and a molecular weight of 506.15 g/mol. Its IUPAC name is copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)
PubChem CID5475131
Molecular FormulaC26H38CuN2O4
Molecular Weight506.15 g/mol
Exact Mass505.21
IUPAC Namecopper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=C/C1=C/NCCCCCCO.O=C1C=CC=C/C1=C/NCCCCCCO.[Cu]
InChIInChI=1S/2C13H19NO2.Cu/c2*15-10-6-2-1-5-9-14-11-12-7-3-4-8-13(12)16;/h2*3-4,7-8,11,14-15H,1-2,5-6,9-10H2;/b2*12-11-;
InChIKeyAEFGZCYQCWBUGQ-ZELJJWTBSA-N
XLogP3.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.15
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one) (CID 5475131) is copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one) is O=C1C=CC=C/C1=C/NCCCCCCO.O=C1C=CC=C/C1=C/NCCCCCCO.[Cu].
What is the InChIKey of copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is AEFGZCYQCWBUGQ-ZELJJWTBSA-N. The full InChI is InChI=1S/2C13H19NO2.Cu/c2*15-10-6-2-1-5-9-14-11-12-7-3-4-8-13(12)16;/h2*3-4,7-8,11,14-15H,1-2,5-6,9-10H2;/b2*12-11-;.
What are the key properties of copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one)?
copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 506.15 g/mol, XLogP of 3.41, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((6Z)-6-[(6-hydroxyhexylamino)methylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 5475131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).