platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride

C34H68Cl2N2O4Pt — CID 76683836

IUPACplatinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].N[C@@H]1CCCC[C@H]1N.[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/2C14H28O2.C6H14N2.2ClH.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;2*1H;/q;;;;;+4/p-4/t;;5-,6-;;;/m..1.../s1
InChIKeyZAGTZTXTYBNJEV-QLMOZNEVSA-J
MW834.91 g/mol
LogP1.10
Rot. Bonds24

About platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride

platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride (PubChem CID 76683836) has the molecular formula C34H68Cl2N2O4Pt and a molecular weight of 834.91 g/mol. Its IUPAC name is platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride.

Molecular Properties

Compound Nameplatinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
PubChem CID76683836
Molecular FormulaC34H68Cl2N2O4Pt
Molecular Weight834.91 g/mol
Exact Mass833.42
IUPAC Nameplatinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].N[C@@H]1CCCC[C@H]1N.[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/2C14H28O2.C6H14N2.2ClH.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;2*1H;/q;;;;;+4/p-4/t;;5-,6-;;;/m..1.../s1
InChIKeyZAGTZTXTYBNJEV-QLMOZNEVSA-J
XLogP1.10
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500834.91
LogP ≤ 51.10
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

platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
cyclohexane-1,2-diamine;bis((Z)-octadec-9-enoate);platinum(2+)
CID 160782423
(2-azanidylcyclohexyl)azanide;platinum(4+);bis(tetradecanoate);hydrate
CID 131851748
docosanoate;platinum(4+)
CID 173129133
cyclohexane;manganese(2+);bis(octadecanoate)
CID 174888958
magnesium;octanoate;chloride
CID 172837629
dicalcium;octadecanoate;chloride
CID 161460201
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
bis(2,2-dimethyloctanoate);platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 14801299
dizinc;bis(octadecanoate);urea;dichloride
CID 174833179

Frequently Asked Questions

What is the IUPAC name of platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride?
The IUPAC name of platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride (CID 76683836) is platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride.
What is the SMILES notation for platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride?
The canonical SMILES for platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride is CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].N[C@@H]1CCCC[C@H]1N.[Cl-].[Cl-].[Pt+4].
What is the InChIKey of platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride?
The InChIKey is ZAGTZTXTYBNJEV-QLMOZNEVSA-J. The full InChI is InChI=1S/2C14H28O2.C6H14N2.2ClH.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;2*1H;/q;;;;;+4/p-4/t;;5-,6-;;;/m..1.../s1.
What are the key properties of platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride?
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride has a molecular weight of 834.91 g/mol, XLogP of 1.10, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride is sourced from PubChem (CID 76683836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).