1,2,3-tritert-butyl-1H-silole

C16H30Si — CID 173067481

IUPAC1,2,3-tritert-butyl-1H-silole
SMILESCC(C)(C)C1=C(C(C)(C)C)[SiH](C(C)(C)C)C=C1
InChIInChI=1S/C16H30Si/c1-14(2,3)12-10-11-17(16(7,8)9)13(12)15(4,5)6/h10-11,17H,1-9H3
InChIKeyFOUKQYGIJFRQLM-UHFFFAOYSA-N
MW250.50 g/mol
LogP5.05
Rot. Bonds

About 1,2,3-tritert-butyl-1H-silole

1,2,3-tritert-butyl-1H-silole (PubChem CID 173067481) has the molecular formula C16H30Si and a molecular weight of 250.50 g/mol. Its IUPAC name is 1,2,3-tritert-butyl-1H-silole.

Molecular Properties

Compound Name1,2,3-tritert-butyl-1H-silole
PubChem CID173067481
Molecular FormulaC16H30Si
Molecular Weight250.50 g/mol
Exact Mass250.21
IUPAC Name1,2,3-tritert-butyl-1H-silole
SMILESCC(C)(C)C1=C(C(C)(C)C)[SiH](C(C)(C)C)C=C1
InChIInChI=1S/C16H30Si/c1-14(2,3)12-10-11-17(16(7,8)9)13(12)15(4,5)6/h10-11,17H,1-9H3
InChIKeyFOUKQYGIJFRQLM-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.50
LogP ≤ 55.05
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 1,2,3-tritert-butyl-1H-silole?
The IUPAC name of 1,2,3-tritert-butyl-1H-silole (CID 173067481) is 1,2,3-tritert-butyl-1H-silole.
What is the SMILES notation for 1,2,3-tritert-butyl-1H-silole?
The canonical SMILES for 1,2,3-tritert-butyl-1H-silole is CC(C)(C)C1=C(C(C)(C)C)[SiH](C(C)(C)C)C=C1.
What is the InChIKey of 1,2,3-tritert-butyl-1H-silole?
The InChIKey is FOUKQYGIJFRQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30Si/c1-14(2,3)12-10-11-17(16(7,8)9)13(12)15(4,5)6/h10-11,17H,1-9H3.
What are the key properties of 1,2,3-tritert-butyl-1H-silole?
1,2,3-tritert-butyl-1H-silole has a molecular weight of 250.50 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tritert-butyl-1H-silole is sourced from PubChem (CID 173067481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).