1-tert-butylselanylbutane

C8H18Se — CID 71390485

IUPAC1-tert-butylselanylbutane
SMILESCCCC[Se]C(C)(C)C
InChIInChI=1S/C8H18Se/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3
InChIKeyFUFXKHSSVJCLQB-UHFFFAOYSA-N
MW193.19 g/mol
LogP3.13
Rot. Bonds3

About 1-tert-butylselanylbutane

1-tert-butylselanylbutane (PubChem CID 71390485) has the molecular formula C8H18Se and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-tert-butylselanylbutane.

Molecular Properties

Compound Name1-tert-butylselanylbutane
PubChem CID71390485
Molecular FormulaC8H18Se
Molecular Weight193.19 g/mol
Exact Mass194.06
IUPAC Name1-tert-butylselanylbutane
SMILESCCCC[Se]C(C)(C)C
InChIInChI=1S/C8H18Se/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3
InChIKeyFUFXKHSSVJCLQB-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentylselanylpentane
CID 14123296
2,2-dimethylpropane;heptane
CID 144531055
2-methoxy-2-methylpropane;pentane
CID 22145886
octadecane;titanium
CID 161312984
lithium;tert-butyl(dimethyl)silanide;hexane
CID 174932698
1-ethylselanylpentane
CID 132605439
ethane;2-fluoro-2-methylhexane
CID 142890341
2-butylselanyl-2-phenylpropanenitrile
CID 134988014
2,3-dimethylbutane-2,3-diamine;hexane
CID 88683031
1-(pentyldiselanyl)pentane
CID 11012010
2,2-dimethylhexane
CID 169424592
ethanamine;pentane
CID 87764211

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylselanylbutane?
The IUPAC name of 1-tert-butylselanylbutane (CID 71390485) is 1-tert-butylselanylbutane.
What is the SMILES notation for 1-tert-butylselanylbutane?
The canonical SMILES for 1-tert-butylselanylbutane is CCCC[Se]C(C)(C)C.
What is the InChIKey of 1-tert-butylselanylbutane?
The InChIKey is FUFXKHSSVJCLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Se/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-tert-butylselanylbutane?
1-tert-butylselanylbutane has a molecular weight of 193.19 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylselanylbutane is sourced from PubChem (CID 71390485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).