2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole

C12H22BNSi — CID 56992634

IUPAC2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole
SMILESCB1C2C=CC=C2[Si](C)(C)N1C(C)(C)C
InChIInChI=1S/C12H22BNSi/c1-12(2,3)14-13(4)10-8-7-9-11(10)15(14,5)6/h7-10H,1-6H3
InChIKeyLJDVVAWLEIYGGW-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.33
Rot. Bonds

About 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole

2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole (PubChem CID 56992634) has the molecular formula C12H22BNSi and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole.

Molecular Properties

Compound Name2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole
PubChem CID56992634
Molecular FormulaC12H22BNSi
Molecular Weight219.21 g/mol
Exact Mass219.16
IUPAC Name2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole
SMILESCB1C2C=CC=C2[Si](C)(C)N1C(C)(C)C
InChIInChI=1S/C12H22BNSi/c1-12(2,3)14-13(4)10-8-7-9-11(10)15(14,5)6/h7-10H,1-6H3
InChIKeyLJDVVAWLEIYGGW-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.33
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-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole?
The IUPAC name of 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole (CID 56992634) is 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole.
What is the SMILES notation for 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole?
The canonical SMILES for 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole is CB1C2C=CC=C2[Si](C)(C)N1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole?
The InChIKey is LJDVVAWLEIYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BNSi/c1-12(2,3)14-13(4)10-8-7-9-11(10)15(14,5)6/h7-10H,1-6H3.
What are the key properties of 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole?
2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole has a molecular weight of 219.21 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1,3-trimethyl-3aH-cyclopenta[c][1,2,5]azasilaborole is sourced from PubChem (CID 56992634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).