docosanoate;platinum(4+)

C88H172O8Pt — CID 173129133

IUPACdocosanoate;platinum(4+)
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Pt+4]
InChIInChI=1S/4C22H44O2.Pt/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h4*2-21H2,1H3,(H,23,24);/q;;;;+4/p-4
InChIKeyDASBWXHVZNYLTB-UHFFFAOYSA-J
MW1553.41 g/mol
LogP26.23
Rot. Bonds80

About docosanoate;platinum(4+)

docosanoate;platinum(4+) (PubChem CID 173129133) has the molecular formula C88H172O8Pt and a molecular weight of 1553.41 g/mol. Its IUPAC name is docosanoate;platinum(4+).

Molecular Properties

Compound Namedocosanoate;platinum(4+)
PubChem CID173129133
Molecular FormulaC88H172O8Pt
Molecular Weight1553.41 g/mol
Exact Mass1552.27
IUPAC Namedocosanoate;platinum(4+)
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Pt+4]
InChIInChI=1S/4C22H44O2.Pt/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h4*2-21H2,1H3,(H,23,24);/q;;;;+4/p-4
InChIKeyDASBWXHVZNYLTB-UHFFFAOYSA-J
XLogP26.23
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds80
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001553.41
LogP ≤ 526.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
tetrakis(octadecanoate);thorium(4+)
CID 160802738

Frequently Asked Questions

What is the IUPAC name of docosanoate;platinum(4+)?
The IUPAC name of docosanoate;platinum(4+) (CID 173129133) is docosanoate;platinum(4+).
What is the SMILES notation for docosanoate;platinum(4+)?
The canonical SMILES for docosanoate;platinum(4+) is CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Pt+4].
What is the InChIKey of docosanoate;platinum(4+)?
The InChIKey is DASBWXHVZNYLTB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C22H44O2.Pt/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h4*2-21H2,1H3,(H,23,24);/q;;;;+4/p-4.
What are the key properties of docosanoate;platinum(4+)?
docosanoate;platinum(4+) has a molecular weight of 1553.41 g/mol, XLogP of 26.23, 80 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for docosanoate;platinum(4+) is sourced from PubChem (CID 173129133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).