butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine

C28H54N2O10Pt — CID 175019392

IUPACbutanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESCCCCCCCCCCCCCCCC(=O)O.N[C@@H]1CCCC[C@H]1N.O=C(O)C(=O)O.O=C(O)CCC(=O)O.[Pt]
InChIInChI=1S/C16H32O2.C6H14N2.C4H6O4.C2H2O4.Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-5-3-1-2-4-6(5)8;5-3(6)1-2-4(7)8;3-1(4)2(5)6;/h2-15H2,1H3,(H,17,18);5-6H,1-4,7-8H2;1-2H2,(H,5,6)(H,7,8);(H,3,4)(H,5,6);/t;5-,6-;;;/m.1.../s1
InChIKeyWAWKSUACKKFLNY-HUPKYWFRSA-N
MW773.82 g/mol
LogP4.86
Rot. Bonds17

About butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine

butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 175019392) has the molecular formula C28H54N2O10Pt and a molecular weight of 773.82 g/mol. Its IUPAC name is butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Namebutanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID175019392
Molecular FormulaC28H54N2O10Pt
Molecular Weight773.82 g/mol
Exact Mass773.34
IUPAC Namebutanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESCCCCCCCCCCCCCCCC(=O)O.N[C@@H]1CCCC[C@H]1N.O=C(O)C(=O)O.O=C(O)CCC(=O)O.[Pt]
InChIInChI=1S/C16H32O2.C6H14N2.C4H6O4.C2H2O4.Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-5-3-1-2-4-6(5)8;5-3(6)1-2-4(7)8;3-1(4)2(5)6;/h2-15H2,1H3,(H,17,18);5-6H,1-4,7-8H2;1-2H2,(H,5,6)(H,7,8);(H,3,4)(H,5,6);/t;5-,6-;;;/m.1.../s1
InChIKeyWAWKSUACKKFLNY-HUPKYWFRSA-N
XLogP4.86
TPSA238.54 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.82
LogP ≤ 54.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
tris(cyclododecanol);hexadecanoic acid
CID 175985554
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
CID 76683836
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine (CID 175019392) is butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine is CCCCCCCCCCCCCCCC(=O)O.N[C@@H]1CCCC[C@H]1N.O=C(O)C(=O)O.O=C(O)CCC(=O)O.[Pt].
What is the InChIKey of butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is WAWKSUACKKFLNY-HUPKYWFRSA-N. The full InChI is InChI=1S/C16H32O2.C6H14N2.C4H6O4.C2H2O4.Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-5-3-1-2-4-6(5)8;5-3(6)1-2-4(7)8;3-1(4)2(5)6;/h2-15H2,1H3,(H,17,18);5-6H,1-4,7-8H2;1-2H2,(H,5,6)(H,7,8);(H,3,4)(H,5,6);/t;5-,6-;;;/m.1.../s1.
What are the key properties of butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine?
butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 773.82 g/mol, XLogP of 4.86, 17 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 175019392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).