copper(1+);1,3,5-trimethylbenzene-6-ide

C9H11Cu — CID 12639866

IUPACcopper(1+);1,3,5-trimethylbenzene-6-ide
SMILESCc1[c-]c(C)cc(C)c1.[Cu+]
InChIInChI=1S/C9H11.Cu/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;/q-1;+1
InChIKeyTYIFJJCPKPPNPM-UHFFFAOYSA-N
MW182.73 g/mol
LogP2.41
Rot. Bonds

About copper(1+);1,3,5-trimethylbenzene-6-ide

copper(1+);1,3,5-trimethylbenzene-6-ide (PubChem CID 12639866) has the molecular formula C9H11Cu and a molecular weight of 182.73 g/mol. Its IUPAC name is copper(1+);1,3,5-trimethylbenzene-6-ide.

Molecular Properties

Compound Namecopper(1+);1,3,5-trimethylbenzene-6-ide
PubChem CID12639866
Molecular FormulaC9H11Cu
Molecular Weight182.73 g/mol
Exact Mass182.02
IUPAC Namecopper(1+);1,3,5-trimethylbenzene-6-ide
SMILESCc1[c-]c(C)cc(C)c1.[Cu+]
InChIInChI=1S/C9H11.Cu/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;/q-1;+1
InChIKeyTYIFJJCPKPPNPM-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.73
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper(1+);1,3,5-trimethylbenzene-6-ide?
The IUPAC name of copper(1+);1,3,5-trimethylbenzene-6-ide (CID 12639866) is copper(1+);1,3,5-trimethylbenzene-6-ide.
What is the SMILES notation for copper(1+);1,3,5-trimethylbenzene-6-ide?
The canonical SMILES for copper(1+);1,3,5-trimethylbenzene-6-ide is Cc1[c-]c(C)cc(C)c1.[Cu+].
What is the InChIKey of copper(1+);1,3,5-trimethylbenzene-6-ide?
The InChIKey is TYIFJJCPKPPNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.Cu/c1-7-4-8(2)6-9(3)5-7;/h4-5H,1-3H3;/q-1;+1.
What are the key properties of copper(1+);1,3,5-trimethylbenzene-6-ide?
copper(1+);1,3,5-trimethylbenzene-6-ide has a molecular weight of 182.73 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1,3,5-trimethylbenzene-6-ide is sourced from PubChem (CID 12639866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).