bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate

C20H36Cu2O4Si2 — CID 173167461

IUPACbis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate
SMILESCCCCC#C[Si](C)(C)C.CCCCC#C[Si](C)(C)C.O=C([O-])C(=O)[O-].[Cu+].[Cu+]
InChIInChI=1S/2C9H18Si.C2H2O4.2Cu/c2*1-5-6-7-8-9-10(2,3)4;3-1(4)2(5)6;;/h2*5-7H2,1-4H3;(H,3,4)(H,5,6);;/q;;;2*+1/p-2
InChIKeyGZGZTPJGQGLNTL-UHFFFAOYSA-L
MW523.77 g/mol
LogP2.60
Rot. Bonds4

About bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate

bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate (PubChem CID 173167461) has the molecular formula C20H36Cu2O4Si2 and a molecular weight of 523.77 g/mol. Its IUPAC name is bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate.

Molecular Properties

Compound Namebis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate
PubChem CID173167461
Molecular FormulaC20H36Cu2O4Si2
Molecular Weight523.77 g/mol
Exact Mass522.07
IUPAC Namebis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate
SMILESCCCCC#C[Si](C)(C)C.CCCCC#C[Si](C)(C)C.O=C([O-])C(=O)[O-].[Cu+].[Cu+]
InChIInChI=1S/2C9H18Si.C2H2O4.2Cu/c2*1-5-6-7-8-9-10(2,3)4;3-1(4)2(5)6;;/h2*5-7H2,1-4H3;(H,3,4)(H,5,6);;/q;;;2*+1/p-2
InChIKeyGZGZTPJGQGLNTL-UHFFFAOYSA-L
XLogP2.60
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.77
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-trimethylsilylundec-1-yn-6-one
CID 176819872
trimethyl(octa-1,3-diynyl)silane
CID 12618051
1-trimethylsilylheptadeca-1,4-diyn-3-one
CID 138980142
deca-1,4-diynyl(trimethyl)silane
CID 11031014
trimethylsilyl 6-trimethylsilylhex-5-ynoate
CID 102423041
trimethyl(undeca-1,4-diynyl)silane
CID 11345045
6-iodonon-1-ynyl(trimethyl)silane
CID 121007871
6-iodohex-1-ynyl(trimethyl)silane
CID 10401411
butylazanium;oxalate
CID 19844195
1-chloro-6-trimethylsilylhex-5-yn-2-one
CID 86086771
9-trimethylsilylnon-8-ynal
CID 11264297
8-trimethylsilyloct-7-ynal
CID 24795453

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate?
The IUPAC name of bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate (CID 173167461) is bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate.
What is the SMILES notation for bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate?
The canonical SMILES for bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate is CCCCC#C[Si](C)(C)C.CCCCC#C[Si](C)(C)C.O=C([O-])C(=O)[O-].[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate?
The InChIKey is GZGZTPJGQGLNTL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H18Si.C2H2O4.2Cu/c2*1-5-6-7-8-9-10(2,3)4;3-1(4)2(5)6;;/h2*5-7H2,1-4H3;(H,3,4)(H,5,6);;/q;;;2*+1/p-2.
What are the key properties of bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate?
bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate has a molecular weight of 523.77 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));bis(hex-1-ynyl(trimethyl)silane);oxalate is sourced from PubChem (CID 173167461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).