copper(1+);1-(1-hexylselanylethenylselanyl)hexane

C14H27CuSe2 — CID 134893913

IUPACcopper(1+);1-(1-hexylselanylethenylselanyl)hexane
SMILES[Cu+].[H][C-]=C([Se]CCCCCC)[Se]CCCCCC
InChIInChI=1S/C14H27Se2.Cu/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2;/h3H,4-13H2,1-2H3;/q-1;+1
InChIKeyWRKYDHCJBLQVCL-UHFFFAOYSA-N
MW416.84 g/mol
LogP4.66
Rot. Bonds12

About copper(1+);1-(1-hexylselanylethenylselanyl)hexane

copper(1+);1-(1-hexylselanylethenylselanyl)hexane (PubChem CID 134893913) has the molecular formula C14H27CuSe2 and a molecular weight of 416.84 g/mol. Its IUPAC name is copper(1+);1-(1-hexylselanylethenylselanyl)hexane.

Molecular Properties

Compound Namecopper(1+);1-(1-hexylselanylethenylselanyl)hexane
PubChem CID134893913
Molecular FormulaC14H27CuSe2
Molecular Weight416.84 g/mol
Exact Mass417.97
IUPAC Namecopper(1+);1-(1-hexylselanylethenylselanyl)hexane
SMILES[Cu+].[H][C-]=C([Se]CCCCCC)[Se]CCCCCC
InChIInChI=1S/C14H27Se2.Cu/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2;/h3H,4-13H2,1-2H3;/q-1;+1
InChIKeyWRKYDHCJBLQVCL-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

octadecane;titanium
CID 161312984
Se-hexyl N,N-dimethylcarbamoselenoate
CID 102466834
methanol;undecane
CID 161373911
1-methylselanyltridecane
CID 139266483
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of copper(1+);1-(1-hexylselanylethenylselanyl)hexane?
The IUPAC name of copper(1+);1-(1-hexylselanylethenylselanyl)hexane (CID 134893913) is copper(1+);1-(1-hexylselanylethenylselanyl)hexane.
What is the SMILES notation for copper(1+);1-(1-hexylselanylethenylselanyl)hexane?
The canonical SMILES for copper(1+);1-(1-hexylselanylethenylselanyl)hexane is [Cu+].[H][C-]=C([Se]CCCCCC)[Se]CCCCCC.
What is the InChIKey of copper(1+);1-(1-hexylselanylethenylselanyl)hexane?
The InChIKey is WRKYDHCJBLQVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Se2.Cu/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2;/h3H,4-13H2,1-2H3;/q-1;+1.
What are the key properties of copper(1+);1-(1-hexylselanylethenylselanyl)hexane?
copper(1+);1-(1-hexylselanylethenylselanyl)hexane has a molecular weight of 416.84 g/mol, XLogP of 4.66, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-(1-hexylselanylethenylselanyl)hexane is sourced from PubChem (CID 134893913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).