tetrakis(decanoate);osmium(4+)

C40H76O8Os — CID 162078983

IUPACtetrakis(decanoate);osmium(4+)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Os+4]
InChIInChI=1S/4C10H20O2.Os/c4*1-2-3-4-5-6-7-8-9-10(11)12;/h4*2-9H2,1H3,(H,11,12);/q;;;;+4/p-4
InChIKeyZCBVSMYHJKWMDK-UHFFFAOYSA-J
MW875.27 g/mol
LogP7.51
Rot. Bonds32

About tetrakis(decanoate);osmium(4+)

tetrakis(decanoate);osmium(4+) (PubChem CID 162078983) has the molecular formula C40H76O8Os and a molecular weight of 875.27 g/mol. Its IUPAC name is tetrakis(decanoate);osmium(4+).

Molecular Properties

Compound Nametetrakis(decanoate);osmium(4+)
PubChem CID162078983
Molecular FormulaC40H76O8Os
Molecular Weight875.27 g/mol
Exact Mass876.52
IUPAC Nametetrakis(decanoate);osmium(4+)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Os+4]
InChIInChI=1S/4C10H20O2.Os/c4*1-2-3-4-5-6-7-8-9-10(11)12;/h4*2-9H2,1H3,(H,11,12);/q;;;;+4/p-4
InChIKeyZCBVSMYHJKWMDK-UHFFFAOYSA-J
XLogP7.51
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.27
LogP ≤ 57.51
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

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CID 18995554
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Frequently Asked Questions

What is the IUPAC name of tetrakis(decanoate);osmium(4+)?
The IUPAC name of tetrakis(decanoate);osmium(4+) (CID 162078983) is tetrakis(decanoate);osmium(4+).
What is the SMILES notation for tetrakis(decanoate);osmium(4+)?
The canonical SMILES for tetrakis(decanoate);osmium(4+) is CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Os+4].
What is the InChIKey of tetrakis(decanoate);osmium(4+)?
The InChIKey is ZCBVSMYHJKWMDK-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H20O2.Os/c4*1-2-3-4-5-6-7-8-9-10(11)12;/h4*2-9H2,1H3,(H,11,12);/q;;;;+4/p-4.
What are the key properties of tetrakis(decanoate);osmium(4+)?
tetrakis(decanoate);osmium(4+) has a molecular weight of 875.27 g/mol, XLogP of 7.51, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(decanoate);osmium(4+) is sourced from PubChem (CID 162078983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).