bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)

C14H28Cl4Cu2N2O2 — CID 139263246

IUPACbis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)
SMILESC=CC[NH+]1CCOCC1.C=CC[NH+]1CCOCC1.Cl[Cu-]Cl.Cl[Cu-]Cl
InChIInChI=1S/2C7H13NO.4ClH.2Cu/c2*1-2-3-8-4-6-9-7-5-8;;;;;;/h2*2H,1,3-7H2;4*1H;;/q;;;;;;2*+1/p-2
InChIKeyNNDNTTVRPSFQKD-UHFFFAOYSA-L
MW525.29 g/mol
LogP0.93
Rot. Bonds4

About bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)

bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium) (PubChem CID 139263246) has the molecular formula C14H28Cl4Cu2N2O2 and a molecular weight of 525.29 g/mol. Its IUPAC name is bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium).

Molecular Properties

Compound Namebis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)
PubChem CID139263246
Molecular FormulaC14H28Cl4Cu2N2O2
Molecular Weight525.29 g/mol
Exact Mass521.95
IUPAC Namebis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)
SMILESC=CC[NH+]1CCOCC1.C=CC[NH+]1CCOCC1.Cl[Cu-]Cl.Cl[Cu-]Cl
InChIInChI=1S/2C7H13NO.4ClH.2Cu/c2*1-2-3-8-4-6-9-7-5-8;;;;;;/h2*2H,1,3-7H2;4*1H;;/q;;;;;;2*+1/p-2
InChIKeyNNDNTTVRPSFQKD-UHFFFAOYSA-L
XLogP0.93
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)?
The IUPAC name of bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium) (CID 139263246) is bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium).
What is the SMILES notation for bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)?
The canonical SMILES for bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium) is C=CC[NH+]1CCOCC1.C=CC[NH+]1CCOCC1.Cl[Cu-]Cl.Cl[Cu-]Cl.
What is the InChIKey of bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)?
The InChIKey is NNDNTTVRPSFQKD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H13NO.4ClH.2Cu/c2*1-2-3-8-4-6-9-7-5-8;;;;;;/h2*2H,1,3-7H2;4*1H;;/q;;;;;;2*+1/p-2.
What are the key properties of bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium)?
bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium) has a molecular weight of 525.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichlorocopper(1-));bis(4-prop-2-enylmorpholin-4-ium) is sourced from PubChem (CID 139263246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).