copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane

C20H25CuSi — CID 177413805

IUPACcopper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane
SMILESCC(C)(C)/C(=[C-]\c1ccccc1)[Si](C)(C)c1ccccc1.[Cu+]
InChIInChI=1S/C20H25Si.Cu/c1-20(2,3)19(16-17-12-8-6-9-13-17)21(4,5)18-14-10-7-11-15-18;/h6-15H,1-5H3;/q-1;+1
InChIKeyOEEPLBADAYERCN-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.96
Rot. Bonds3

About copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane

copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane (PubChem CID 177413805) has the molecular formula C20H25CuSi and a molecular weight of 357.05 g/mol. Its IUPAC name is copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane.

Molecular Properties

Compound Namecopper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane
PubChem CID177413805
Molecular FormulaC20H25CuSi
Molecular Weight357.05 g/mol
Exact Mass356.10
IUPAC Namecopper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane
SMILESCC(C)(C)/C(=[C-]\c1ccccc1)[Si](C)(C)c1ccccc1.[Cu+]
InChIInChI=1S/C20H25Si.Cu/c1-20(2,3)19(16-17-12-8-6-9-13-17)21(4,5)18-14-10-7-11-15-18;/h6-15H,1-5H3;/q-1;+1
InChIKeyOEEPLBADAYERCN-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane?
The IUPAC name of copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane (CID 177413805) is copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane.
What is the SMILES notation for copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane?
The canonical SMILES for copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane is CC(C)(C)/C(=[C-]\c1ccccc1)[Si](C)(C)c1ccccc1.[Cu+].
What is the InChIKey of copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane?
The InChIKey is OEEPLBADAYERCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Si.Cu/c1-20(2,3)19(16-17-12-8-6-9-13-17)21(4,5)18-14-10-7-11-15-18;/h6-15H,1-5H3;/q-1;+1.
What are the key properties of copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane?
copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane has a molecular weight of 357.05 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);(3,3-dimethyl-1-phenylbut-1-en-2-yl)-dimethyl-phenylsilane is sourced from PubChem (CID 177413805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).