CID 173015886

C20H38BiO4Zn — CID 173015886

IUPAC—
SMILESCC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Bi].[Zn+2]
InChIInChI=1S/2C10H20O2.Bi.Zn/c2*1-10(2,3)8-6-4-5-7-9(11)12;;/h2*4-8H2,1-3H3,(H,11,12);;/q;;;+2/p-2
InChIKeyOFSIEMGBKADDEC-UHFFFAOYSA-L
MW616.89 g/mol
LogP3.08
Rot. Bonds10

About CID 173015886

CID 173015886 (PubChem CID 173015886) has the molecular formula C20H38BiO4Zn and a molecular weight of 616.89 g/mol.

Molecular Properties

Compound NameCID 173015886
PubChem CID173015886
Molecular FormulaC20H38BiO4Zn
Molecular Weight616.89 g/mol
Exact Mass615.19
IUPAC Name—
SMILESCC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Bi].[Zn+2]
InChIInChI=1S/2C10H20O2.Bi.Zn/c2*1-10(2,3)8-6-4-5-7-9(11)12;;/h2*4-8H2,1-3H3,(H,11,12);;/q;;;+2/p-2
InChIKeyOFSIEMGBKADDEC-UHFFFAOYSA-L
XLogP3.08
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.89
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium;6,6-dimethylheptanoate;8,8-dimethylnonanoate
CID 56844065
7,7-dimethyloctanoate
CID 21225528
bis(7,7-dimethyloctanoate);manganese(2+)
CID 22315822
tetrakis(7,7-dimethyloctanoate);molybdenum(4+)
CID 161322125
azanium 19,19-dimethylicosanoate
CID 141464670
7,7-dimethyloctanoate;niobium;borate
CID 175224154
bis(6,6-dimethylheptanoate);dimethyltin(2+)
CID 160545189
calcium;7,7-dimethyloctanoate;7-methyloctanoate
CID 56843801
calcium decanedioate
CID 11637296
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
bismuth;zinc;bis(7,7-dimethyloctanoate);tris(2-ethylhexanoate)
CID 173076420

Frequently Asked Questions

What is the IUPAC name of CID 173015886?
The IUPAC name of CID 173015886 (CID 173015886) is not available.
What is the SMILES notation for CID 173015886?
The canonical SMILES for CID 173015886 is CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Bi].[Zn+2].
What is the InChIKey of CID 173015886?
The InChIKey is OFSIEMGBKADDEC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20O2.Bi.Zn/c2*1-10(2,3)8-6-4-5-7-9(11)12;;/h2*4-8H2,1-3H3,(H,11,12);;/q;;;+2/p-2.
What are the key properties of CID 173015886?
CID 173015886 has a molecular weight of 616.89 g/mol, XLogP of 3.08, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173015886 is sourced from PubChem (CID 173015886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).