[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium

C17H26ClSe+ — CID 154066802

IUPAC[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium
SMILESCC(C)C[C@@H]([Se+](C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClSe/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3/q+1/t16-/m1/s1
InChIKeyKQUNPFFIQMSYIN-MRXNPFEDSA-N
MW344.81 g/mol
LogP5.93
Rot. Bonds5

About [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium

[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium (PubChem CID 154066802) has the molecular formula C17H26ClSe+ and a molecular weight of 344.81 g/mol. Its IUPAC name is [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium.

Molecular Properties

Compound Name[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium
PubChem CID154066802
Molecular FormulaC17H26ClSe+
Molecular Weight344.81 g/mol
Exact Mass345.09
IUPAC Name[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium
SMILESCC(C)C[C@@H]([Se+](C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClSe/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3/q+1/t16-/m1/s1
InChIKeyKQUNPFFIQMSYIN-MRXNPFEDSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.81
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium?
The IUPAC name of [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium (CID 154066802) is [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium.
What is the SMILES notation for [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium?
The canonical SMILES for [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium is CC(C)C[C@@H]([Se+](C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium?
The InChIKey is KQUNPFFIQMSYIN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26ClSe/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3/q+1/t16-/m1/s1.
What are the key properties of [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium?
[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium has a molecular weight of 344.81 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium is sourced from PubChem (CID 154066802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).