bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc

C22H48N2O4Zn — CID 175605017

IUPACbis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
SMILESCCCCCCCC(=O)O.CCCCCCCC(=O)O.CN(C)CCN(C)C.[Zn]
InChIInChI=1S/2C8H16O2.C6H16N2.Zn/c2*1-2-3-4-5-6-7-8(9)10;1-7(2)5-6-8(3)4;/h2*2-7H2,1H3,(H,9,10);5-6H2,1-4H3;
InChIKeyUEVWRUHJPXTNAH-UHFFFAOYSA-N
MW470.03 g/mol
LogP4.97
Rot. Bonds15

About bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc

bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc (PubChem CID 175605017) has the molecular formula C22H48N2O4Zn and a molecular weight of 470.03 g/mol. Its IUPAC name is bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc.

Molecular Properties

Compound Namebis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
PubChem CID175605017
Molecular FormulaC22H48N2O4Zn
Molecular Weight470.03 g/mol
Exact Mass468.29
IUPAC Namebis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
SMILESCCCCCCCC(=O)O.CCCCCCCC(=O)O.CN(C)CCN(C)C.[Zn]
InChIInChI=1S/2C8H16O2.C6H16N2.Zn/c2*1-2-3-4-5-6-7-8(9)10;1-7(2)5-6-8(3)4;/h2*2-7H2,1H3,(H,9,10);5-6H2,1-4H3;
InChIKeyUEVWRUHJPXTNAH-UHFFFAOYSA-N
XLogP4.97
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.03
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc?
The IUPAC name of bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc (CID 175605017) is bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc.
What is the SMILES notation for bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc?
The canonical SMILES for bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc is CCCCCCCC(=O)O.CCCCCCCC(=O)O.CN(C)CCN(C)C.[Zn].
What is the InChIKey of bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc?
The InChIKey is UEVWRUHJPXTNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2.C6H16N2.Zn/c2*1-2-3-4-5-6-7-8(9)10;1-7(2)5-6-8(3)4;/h2*2-7H2,1H3,(H,9,10);5-6H2,1-4H3;.
What are the key properties of bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc?
bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc has a molecular weight of 470.03 g/mol, XLogP of 4.97, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc is sourced from PubChem (CID 175605017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).