copper;ethane-1,2-diamine;bis(octanoate)

C18H38CuN2O4 — CID 158301561

IUPACcopper;ethane-1,2-diamine;bis(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].NCCN.[Cu+2]
InChIInChI=1S/2C8H16O2.C2H8N2.Cu/c2*1-2-3-4-5-6-7-8(9)10;3-1-2-4;/h2*2-7H2,1H3,(H,9,10);1-4H2;/q;;;+2/p-2
InChIKeyGMOCUHCHLQTIQW-UHFFFAOYSA-L
MW410.06 g/mol
LogP1.09
Rot. Bonds13

About copper;ethane-1,2-diamine;bis(octanoate)

copper;ethane-1,2-diamine;bis(octanoate) (PubChem CID 158301561) has the molecular formula C18H38CuN2O4 and a molecular weight of 410.06 g/mol. Its IUPAC name is copper;ethane-1,2-diamine;bis(octanoate).

Molecular Properties

Compound Namecopper;ethane-1,2-diamine;bis(octanoate)
PubChem CID158301561
Molecular FormulaC18H38CuN2O4
Molecular Weight410.06 g/mol
Exact Mass409.21
IUPAC Namecopper;ethane-1,2-diamine;bis(octanoate)
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].NCCN.[Cu+2]
InChIInChI=1S/2C8H16O2.C2H8N2.Cu/c2*1-2-3-4-5-6-7-8(9)10;3-1-2-4;/h2*2-7H2,1H3,(H,9,10);1-4H2;/q;;;+2/p-2
InChIKeyGMOCUHCHLQTIQW-UHFFFAOYSA-L
XLogP1.09
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.06
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

octan-1-amine;octanoate
CID 23330056
copper bis(tricosanoate)
CID 158584848
copper;copper;bis(octadecanoate)
CID 157120131
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aminoazanium;octadecanoate
CID 161398696
aminoazanium;decanoate
CID 158292126
dizinc bis(octadecanoate)
CID 21187064
cerium(3+);tris(heptadecanoate)
CID 109374153
potassium decanoate
CID 23688501
neodymium(3+);tris(tetradecanoate)
CID 175189497

Frequently Asked Questions

What is the IUPAC name of copper;ethane-1,2-diamine;bis(octanoate)?
The IUPAC name of copper;ethane-1,2-diamine;bis(octanoate) (CID 158301561) is copper;ethane-1,2-diamine;bis(octanoate).
What is the SMILES notation for copper;ethane-1,2-diamine;bis(octanoate)?
The canonical SMILES for copper;ethane-1,2-diamine;bis(octanoate) is CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].NCCN.[Cu+2].
What is the InChIKey of copper;ethane-1,2-diamine;bis(octanoate)?
The InChIKey is GMOCUHCHLQTIQW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.C2H8N2.Cu/c2*1-2-3-4-5-6-7-8(9)10;3-1-2-4;/h2*2-7H2,1H3,(H,9,10);1-4H2;/q;;;+2/p-2.
What are the key properties of copper;ethane-1,2-diamine;bis(octanoate)?
copper;ethane-1,2-diamine;bis(octanoate) has a molecular weight of 410.06 g/mol, XLogP of 1.09, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;ethane-1,2-diamine;bis(octanoate) is sourced from PubChem (CID 158301561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).