copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)

C26H34CuN2O4 — CID 6849957

IUPACcopper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)
SMILESCC(C)CC1COC(=C2C=CC=CC2=O)N1.CC(C)CC1COC(=C2C=CC=CC2=O)N1.[Cu]
InChIInChI=1S/2C13H17NO2.Cu/c2*1-9(2)7-10-8-16-13(14-10)11-5-3-4-6-12(11)15;/h2*3-6,9-10,14H,7-8H2,1-2H3;
InChIKeyLVWWCXZZMCNUOW-UHFFFAOYSA-N
MW502.11 g/mol
LogP3.85
Rot. Bonds4

About copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)

copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) (PubChem CID 6849957) has the molecular formula C26H34CuN2O4 and a molecular weight of 502.11 g/mol. Its IUPAC name is copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecopper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)
PubChem CID6849957
Molecular FormulaC26H34CuN2O4
Molecular Weight502.11 g/mol
Exact Mass501.18
IUPAC Namecopper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)
SMILESCC(C)CC1COC(=C2C=CC=CC2=O)N1.CC(C)CC1COC(=C2C=CC=CC2=O)N1.[Cu]
InChIInChI=1S/2C13H17NO2.Cu/c2*1-9(2)7-10-8-16-13(14-10)11-5-3-4-6-12(11)15;/h2*3-6,9-10,14H,7-8H2,1-2H3;
InChIKeyLVWWCXZZMCNUOW-UHFFFAOYSA-N
XLogP3.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.11
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)?
The IUPAC name of copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) (CID 6849957) is copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one).
What is the SMILES notation for copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)?
The canonical SMILES for copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) is CC(C)CC1COC(=C2C=CC=CC2=O)N1.CC(C)CC1COC(=C2C=CC=CC2=O)N1.[Cu].
What is the InChIKey of copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)?
The InChIKey is LVWWCXZZMCNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO2.Cu/c2*1-9(2)7-10-8-16-13(14-10)11-5-3-4-6-12(11)15;/h2*3-6,9-10,14H,7-8H2,1-2H3;.
What are the key properties of copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one)?
copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) has a molecular weight of 502.11 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(6-[4-(2-methylpropyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 6849957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).