copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

C22H38CuO4 — CID 14534779

IUPACcopper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
SMILESCC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Cu+2]
InChIInChI=1S/2C11H20O2.Cu/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;
InChIKeyVCIKJQZFNVXWPF-ATMONBRVSA-L
MW430.09 g/mol
LogP3.78
Rot. Bonds2

About copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) (PubChem CID 14534779) has the molecular formula C22H38CuO4 and a molecular weight of 430.09 g/mol. Its IUPAC name is copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate).

Molecular Properties

Compound Namecopper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
PubChem CID14534779
Molecular FormulaC22H38CuO4
Molecular Weight430.09 g/mol
Exact Mass429.21
IUPAC Namecopper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
SMILESCC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Cu+2]
InChIInChI=1S/2C11H20O2.Cu/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;
InChIKeyVCIKJQZFNVXWPF-ATMONBRVSA-L
XLogP3.78
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.09
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The IUPAC name of copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) (CID 14534779) is copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate).
What is the SMILES notation for copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The canonical SMILES for copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) is CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Cu+2].
What is the InChIKey of copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The InChIKey is VCIKJQZFNVXWPF-ATMONBRVSA-L. The full InChI is InChI=1S/2C11H20O2.Cu/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;.
What are the key properties of copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) has a molecular weight of 430.09 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) is sourced from PubChem (CID 14534779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).