cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)

C42H80N2O4Pt — CID 160782423

IUPACcyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].NC1CCCCC1N.[Pt+2]
InChIInChI=1S/2C18H34O2.C6H14N2.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-5-3-1-2-4-6(5)8;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,1-4,7-8H2;/q;;;+2/p-2/b2*10-9-;;
InChIKeySATDZNVKNUQWPQ-GOJQJELCSA-L
MW872.19 g/mol
LogP9.76
Rot. Bonds30

About cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)

cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+) (PubChem CID 160782423) has the molecular formula C42H80N2O4Pt and a molecular weight of 872.19 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+).

Molecular Properties

Compound Namecyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)
PubChem CID160782423
Molecular FormulaC42H80N2O4Pt
Molecular Weight872.19 g/mol
Exact Mass871.58
IUPAC Namecyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].NC1CCCCC1N.[Pt+2]
InChIInChI=1S/2C18H34O2.C6H14N2.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-5-3-1-2-4-6(5)8;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,1-4,7-8H2;/q;;;+2/p-2/b2*10-9-;;
InChIKeySATDZNVKNUQWPQ-GOJQJELCSA-L
XLogP9.76
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.19
LogP ≤ 59.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
CID 76683836
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
lithium (Z)-octadec-9-enoate
CID 23673654
tris(octadec-9-enoate);thulium(3+)
CID 173065522
iron(3+);(Z)-octadec-9-enoate
CID 22297787
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
CID 6436661

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)?
The IUPAC name of cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+) (CID 160782423) is cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+).
What is the SMILES notation for cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)?
The canonical SMILES for cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+) is CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].NC1CCCCC1N.[Pt+2].
What is the InChIKey of cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)?
The InChIKey is SATDZNVKNUQWPQ-GOJQJELCSA-L. The full InChI is InChI=1S/2C18H34O2.C6H14N2.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-5-3-1-2-4-6(5)8;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);5-6H,1-4,7-8H2;/q;;;+2/p-2/b2*10-9-;;.
What are the key properties of cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)?
cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+) has a molecular weight of 872.19 g/mol, XLogP of 9.76, 30 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+) is sourced from PubChem (CID 160782423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).