2-tert-butyl-1,1,3-trimethylsilirene

C9H18Si — CID 13303646

IUPAC2-tert-butyl-1,1,3-trimethylsilirene
SMILESCC1=C(C(C)(C)C)[Si]1(C)C
InChIInChI=1S/C9H18Si/c1-7-8(9(2,3)4)10(7,5)6/h1-6H3
InChIKeyWFKNHXAAGXRYHB-UHFFFAOYSA-N
MW154.33 g/mol
LogP3.15
Rot. Bonds

About 2-tert-butyl-1,1,3-trimethylsilirene

2-tert-butyl-1,1,3-trimethylsilirene (PubChem CID 13303646) has the molecular formula C9H18Si and a molecular weight of 154.33 g/mol. Its IUPAC name is 2-tert-butyl-1,1,3-trimethylsilirene.

Molecular Properties

Compound Name2-tert-butyl-1,1,3-trimethylsilirene
PubChem CID13303646
Molecular FormulaC9H18Si
Molecular Weight154.33 g/mol
Exact Mass154.12
IUPAC Name2-tert-butyl-1,1,3-trimethylsilirene
SMILESCC1=C(C(C)(C)C)[Si]1(C)C
InChIInChI=1S/C9H18Si/c1-7-8(9(2,3)4)10(7,5)6/h1-6H3
InChIKeyWFKNHXAAGXRYHB-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.33
LogP ≤ 53.15
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-tert-butyl-1,1,3-trimethylsilirene?
The IUPAC name of 2-tert-butyl-1,1,3-trimethylsilirene (CID 13303646) is 2-tert-butyl-1,1,3-trimethylsilirene.
What is the SMILES notation for 2-tert-butyl-1,1,3-trimethylsilirene?
The canonical SMILES for 2-tert-butyl-1,1,3-trimethylsilirene is CC1=C(C(C)(C)C)[Si]1(C)C.
What is the InChIKey of 2-tert-butyl-1,1,3-trimethylsilirene?
The InChIKey is WFKNHXAAGXRYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Si/c1-7-8(9(2,3)4)10(7,5)6/h1-6H3.
What are the key properties of 2-tert-butyl-1,1,3-trimethylsilirene?
2-tert-butyl-1,1,3-trimethylsilirene has a molecular weight of 154.33 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1,3-trimethylsilirene is sourced from PubChem (CID 13303646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).