2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane

C14H30Se — CID 173069009

IUPAC2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane
SMILESCC(C)(C)C(C)(C)[Se]C(C)(C)C(C)(C)C
InChIInChI=1S/C14H30Se/c1-11(2,3)13(7,8)15-14(9,10)12(4,5)6/h1-10H3
InChIKeyYVNSMXUUMLACOW-UHFFFAOYSA-N
MW277.35 g/mol
LogP5.18
Rot. Bonds2

About 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane

2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane (PubChem CID 173069009) has the molecular formula C14H30Se and a molecular weight of 277.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane
PubChem CID173069009
Molecular FormulaC14H30Se
Molecular Weight277.35 g/mol
Exact Mass278.15
IUPAC Name2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane
SMILESCC(C)(C)C(C)(C)[Se]C(C)(C)C(C)(C)C
InChIInChI=1S/C14H30Se/c1-11(2,3)13(7,8)15-14(9,10)12(4,5)6/h1-10H3
InChIKeyYVNSMXUUMLACOW-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.35
LogP ≤ 55.18
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 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane?
The IUPAC name of 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane (CID 173069009) is 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane?
The canonical SMILES for 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane is CC(C)(C)C(C)(C)[Se]C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane?
The InChIKey is YVNSMXUUMLACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Se/c1-11(2,3)13(7,8)15-14(9,10)12(4,5)6/h1-10H3.
What are the key properties of 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane?
2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane has a molecular weight of 277.35 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-ylselanyl)butane is sourced from PubChem (CID 173069009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).