copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane

C19H37CuO2Si2 — CID 139105386

IUPACcopper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane
SMILESCC(C)CC(=O)/C=C(\[O-])C(C)(C)C.C[Si](C)(C)C#C[Si](C)(C)C.[Cu+]
InChIInChI=1S/C11H20O2.C8H18Si2.Cu/c1-8(2)6-9(12)7-10(13)11(3,4)5;1-9(2,3)7-8-10(4,5)6;/h7-8,13H,6H2,1-5H3;1-6H3;/q;;+1/p-1/b10-7-;;
InChIKeySCNUVXUIMDSZJI-QISVCDMNSA-M
MW417.22 g/mol
LogP4.63
Rot. Bonds3

About copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane

copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane (PubChem CID 139105386) has the molecular formula C19H37CuO2Si2 and a molecular weight of 417.22 g/mol. Its IUPAC name is copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane.

Molecular Properties

Compound Namecopper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane
PubChem CID139105386
Molecular FormulaC19H37CuO2Si2
Molecular Weight417.22 g/mol
Exact Mass416.16
IUPAC Namecopper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane
SMILESCC(C)CC(=O)/C=C(\[O-])C(C)(C)C.C[Si](C)(C)C#C[Si](C)(C)C.[Cu+]
InChIInChI=1S/C11H20O2.C8H18Si2.Cu/c1-8(2)6-9(12)7-10(13)11(3,4)5;1-9(2,3)7-8-10(4,5)6;/h7-8,13H,6H2,1-5H3;1-6H3;/q;;+1/p-1/b10-7-;;
InChIKeySCNUVXUIMDSZJI-QISVCDMNSA-M
XLogP4.63
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.22
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane with MolForge

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Related Compounds

(E)-2,6-dimethyloct-5-en-7-yn-4-one
CID 13317826
hexakis(propan-2-olate);bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);bis(zirconium(4+))
CID 139134387
CID 171374936
CID 171374936
erbium(3+);tris((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
CID 134067804
tetrakis(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);zirconium(4+)
CID 74370500
ruthenium(3+);tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
CID 57369679
CID 170997453
CID 170997453
cerium;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
CID 171030514
praseodymium(3+);tris((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
CID 5489947
4-methyl-2-oxopentanethial
CID 123620188
calcium bis(3-methylbutanoate)
CID 6453767
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417

Frequently Asked Questions

What is the IUPAC name of copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane?
The IUPAC name of copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane (CID 139105386) is copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane.
What is the SMILES notation for copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane?
The canonical SMILES for copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane is CC(C)CC(=O)/C=C(\[O-])C(C)(C)C.C[Si](C)(C)C#C[Si](C)(C)C.[Cu+].
What is the InChIKey of copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane?
The InChIKey is SCNUVXUIMDSZJI-QISVCDMNSA-M. The full InChI is InChI=1S/C11H20O2.C8H18Si2.Cu/c1-8(2)6-9(12)7-10(13)11(3,4)5;1-9(2,3)7-8-10(4,5)6;/h7-8,13H,6H2,1-5H3;1-6H3;/q;;+1/p-1/b10-7-;;.
What are the key properties of copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane?
copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane has a molecular weight of 417.22 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);(Z)-2,2,7-trimethyl-5-oxooct-3-en-3-olate;trimethyl(2-trimethylsilylethynyl)silane is sourced from PubChem (CID 139105386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).