dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)

C22H48Cu2O6Si2 — CID 173131129

IUPACdicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)
SMILESCCC([O-])CC([O-])C(C)(C)O[Si](C)(C)C.CCC([O-])CC([O-])C(C)(C)O[Si](C)(C)C.[Cu+2].[Cu+2]
InChIInChI=1S/2C11H24O3Si.2Cu/c2*1-7-9(12)8-10(13)11(2,3)14-15(4,5)6;;/h2*9-10H,7-8H2,1-6H3;;/q2*-2;2*+2
InChIKeyBVWAFDVWDFZZGS-UHFFFAOYSA-N
MW591.88 g/mol
LogP1.74
Rot. Bonds12

About dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)

dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate) (PubChem CID 173131129) has the molecular formula C22H48Cu2O6Si2 and a molecular weight of 591.88 g/mol. Its IUPAC name is dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate).

Molecular Properties

Compound Namedicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)
PubChem CID173131129
Molecular FormulaC22H48Cu2O6Si2
Molecular Weight591.88 g/mol
Exact Mass590.16
IUPAC Namedicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)
SMILESCCC([O-])CC([O-])C(C)(C)O[Si](C)(C)C.CCC([O-])CC([O-])C(C)(C)O[Si](C)(C)C.[Cu+2].[Cu+2]
InChIInChI=1S/2C11H24O3Si.2Cu/c2*1-7-9(12)8-10(13)11(2,3)14-15(4,5)6;;/h2*9-10H,7-8H2,1-6H3;;/q2*-2;2*+2
InChIKeyBVWAFDVWDFZZGS-UHFFFAOYSA-N
XLogP1.74
TPSA110.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.88
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylpentan-3-yloxy(trimethyl)silane
CID 10679187
N,N,2-trimethyl-2-trimethylsilyloxybutan-1-amine
CID 142710805
bis(erbium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)
CID 173169737
copper bis(3-methylpentan-2-olate)
CID 87166052
tert-butyl-(1-chloropropoxy)-dimethylsilane
CID 23216108
tetrakis(hexan-3-olate);zirconium(4+)
CID 161428772
trichloro(2-trimethylsilyloxypropan-2-yl)silane
CID 20603294
dimethyl-pentan-3-yloxy-trimethylsilyloxysilane
CID 169004252
2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione
CID 22253510
4-trimethylsilyloxyheptan-4-ylphosphane
CID 102499494
2-butan-2-yloxypropan-2-yl-dimethyl-trimethylsilyloxysilane
CID 58883808
ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium
CID 15444937

Frequently Asked Questions

What is the IUPAC name of dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)?
The IUPAC name of dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate) (CID 173131129) is dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate).
What is the SMILES notation for dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)?
The canonical SMILES for dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate) is CCC([O-])CC([O-])C(C)(C)O[Si](C)(C)C.CCC([O-])CC([O-])C(C)(C)O[Si](C)(C)C.[Cu+2].[Cu+2].
What is the InChIKey of dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)?
The InChIKey is BVWAFDVWDFZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24O3Si.2Cu/c2*1-7-9(12)8-10(13)11(2,3)14-15(4,5)6;;/h2*9-10H,7-8H2,1-6H3;;/q2*-2;2*+2.
What are the key properties of dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate)?
dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate) has a molecular weight of 591.88 g/mol, XLogP of 1.74, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper bis(2-methyl-2-trimethylsilyloxyheptane-3,5-diolate) is sourced from PubChem (CID 173131129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).