2-methyl-2-(1-methylselanylethenylsulfanyl)propane

C7H14SSe — CID 10656009

IUPAC2-methyl-2-(1-methylselanylethenylsulfanyl)propane
SMILESC=C(SC(C)(C)C)[Se]C
InChIInChI=1S/C7H14SSe/c1-6(9-5)8-7(2,3)4/h1H2,2-5H3
InChIKeyQJPPLOHERDFYQC-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.74
Rot. Bonds2

About 2-methyl-2-(1-methylselanylethenylsulfanyl)propane

2-methyl-2-(1-methylselanylethenylsulfanyl)propane (PubChem CID 10656009) has the molecular formula C7H14SSe and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-methyl-2-(1-methylselanylethenylsulfanyl)propane.

Molecular Properties

Compound Name2-methyl-2-(1-methylselanylethenylsulfanyl)propane
PubChem CID10656009
Molecular FormulaC7H14SSe
Molecular Weight209.22 g/mol
Exact Mass210.00
IUPAC Name2-methyl-2-(1-methylselanylethenylsulfanyl)propane
SMILESC=C(SC(C)(C)C)[Se]C
InChIInChI=1S/C7H14SSe/c1-6(9-5)8-7(2,3)4/h1H2,2-5H3
InChIKeyQJPPLOHERDFYQC-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-2-(1-methylselanylethenylsulfanyl)propane?
The IUPAC name of 2-methyl-2-(1-methylselanylethenylsulfanyl)propane (CID 10656009) is 2-methyl-2-(1-methylselanylethenylsulfanyl)propane.
What is the SMILES notation for 2-methyl-2-(1-methylselanylethenylsulfanyl)propane?
The canonical SMILES for 2-methyl-2-(1-methylselanylethenylsulfanyl)propane is C=C(SC(C)(C)C)[Se]C.
What is the InChIKey of 2-methyl-2-(1-methylselanylethenylsulfanyl)propane?
The InChIKey is QJPPLOHERDFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14SSe/c1-6(9-5)8-7(2,3)4/h1H2,2-5H3.
What are the key properties of 2-methyl-2-(1-methylselanylethenylsulfanyl)propane?
2-methyl-2-(1-methylselanylethenylsulfanyl)propane has a molecular weight of 209.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylselanylethenylsulfanyl)propane is sourced from PubChem (CID 10656009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).