copper(1+);[(2S)-pentan-2-yl]benzene

C11H15Cu — CID 154715894

IUPACcopper(1+);[(2S)-pentan-2-yl]benzene
SMILESC[CH-]C[C@H](C)c1ccccc1.[Cu+]
InChIInChI=1S/C11H15.Cu/c1-3-7-10(2)11-8-5-4-6-9-11;/h3-6,8-10H,7H2,1-2H3;/q-1;+1/t10-;/m0./s1
InChIKeyPHJXRILGIILKIQ-PPHPATTJSA-N
MW210.79 g/mol
LogP3.40
Rot. Bonds3

About copper(1+);[(2S)-pentan-2-yl]benzene

copper(1+);[(2S)-pentan-2-yl]benzene (PubChem CID 154715894) has the molecular formula C11H15Cu and a molecular weight of 210.79 g/mol. Its IUPAC name is copper(1+);[(2S)-pentan-2-yl]benzene.

Molecular Properties

Compound Namecopper(1+);[(2S)-pentan-2-yl]benzene
PubChem CID154715894
Molecular FormulaC11H15Cu
Molecular Weight210.79 g/mol
Exact Mass210.05
IUPAC Namecopper(1+);[(2S)-pentan-2-yl]benzene
SMILESC[CH-]C[C@H](C)c1ccccc1.[Cu+]
InChIInChI=1S/C11H15.Cu/c1-3-7-10(2)11-8-5-4-6-9-11;/h3-6,8-10H,7H2,1-2H3;/q-1;+1/t10-;/m0./s1
InChIKeyPHJXRILGIILKIQ-PPHPATTJSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.79
LogP ≤ 53.40
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+);[(2S)-pentan-2-yl]benzene?
The IUPAC name of copper(1+);[(2S)-pentan-2-yl]benzene (CID 154715894) is copper(1+);[(2S)-pentan-2-yl]benzene.
What is the SMILES notation for copper(1+);[(2S)-pentan-2-yl]benzene?
The canonical SMILES for copper(1+);[(2S)-pentan-2-yl]benzene is C[CH-]C[C@H](C)c1ccccc1.[Cu+].
What is the InChIKey of copper(1+);[(2S)-pentan-2-yl]benzene?
The InChIKey is PHJXRILGIILKIQ-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15.Cu/c1-3-7-10(2)11-8-5-4-6-9-11;/h3-6,8-10H,7H2,1-2H3;/q-1;+1/t10-;/m0./s1.
What are the key properties of copper(1+);[(2S)-pentan-2-yl]benzene?
copper(1+);[(2S)-pentan-2-yl]benzene has a molecular weight of 210.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);[(2S)-pentan-2-yl]benzene is sourced from PubChem (CID 154715894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).