benzene;methylidenecopper

C7H7Cu- — CID 175116320

IUPACbenzene;methylidenecopper
SMILESC=[Cu].[c-]1ccccc1
InChIInChI=1S/C6H5.CH2.Cu/c1-2-4-6-5-3-1;;/h1-5H;1H2;/q-1;;
InChIKeyOQTFVPOETHBMMP-UHFFFAOYSA-N
MW154.68 g/mol
LogP1.45
Rot. Bonds

About benzene;methylidenecopper

benzene;methylidenecopper (PubChem CID 175116320) has the molecular formula C7H7Cu- and a molecular weight of 154.68 g/mol. Its IUPAC name is benzene;methylidenecopper.

Molecular Properties

Compound Namebenzene;methylidenecopper
PubChem CID175116320
Molecular FormulaC7H7Cu-
Molecular Weight154.68 g/mol
Exact Mass153.98
IUPAC Namebenzene;methylidenecopper
SMILESC=[Cu].[c-]1ccccc1
InChIInChI=1S/C6H5.CH2.Cu/c1-2-4-6-5-3-1;;/h1-5H;1H2;/q-1;;
InChIKeyOQTFVPOETHBMMP-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.68
LogP ≤ 51.45
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 benzene;methylidenecopper?
The IUPAC name of benzene;methylidenecopper (CID 175116320) is benzene;methylidenecopper.
What is the SMILES notation for benzene;methylidenecopper?
The canonical SMILES for benzene;methylidenecopper is C=[Cu].[c-]1ccccc1.
What is the InChIKey of benzene;methylidenecopper?
The InChIKey is OQTFVPOETHBMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.CH2.Cu/c1-2-4-6-5-3-1;;/h1-5H;1H2;/q-1;;.
What are the key properties of benzene;methylidenecopper?
benzene;methylidenecopper has a molecular weight of 154.68 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methylidenecopper is sourced from PubChem (CID 175116320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).