1,1-dipropyl-2,3-dihydro-1-benzosilole

C14H22Si — CID 583937

IUPAC1,1-dipropyl-2,3-dihydro-1-benzosilole
SMILESCCC[Si]1(CCC)CCc2ccccc21
InChIInChI=1S/C14H22Si/c1-3-10-15(11-4-2)12-9-13-7-5-6-8-14(13)15/h5-8H,3-4,9-12H2,1-2H3
InChIKeyBQBRUUXPJLTFDL-UHFFFAOYSA-N
MW218.42 g/mol
LogP3.72
Rot. Bonds4

About 1,1-dipropyl-2,3-dihydro-1-benzosilole

1,1-dipropyl-2,3-dihydro-1-benzosilole (PubChem CID 583937) has the molecular formula C14H22Si and a molecular weight of 218.42 g/mol. Its IUPAC name is 1,1-dipropyl-2,3-dihydro-1-benzosilole.

Molecular Properties

Compound Name1,1-dipropyl-2,3-dihydro-1-benzosilole
PubChem CID583937
Molecular FormulaC14H22Si
Molecular Weight218.42 g/mol
Exact Mass218.15
IUPAC Name1,1-dipropyl-2,3-dihydro-1-benzosilole
SMILESCCC[Si]1(CCC)CCc2ccccc21
InChIInChI=1S/C14H22Si/c1-3-10-15(11-4-2)12-9-13-7-5-6-8-14(13)15/h5-8H,3-4,9-12H2,1-2H3
InChIKeyBQBRUUXPJLTFDL-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1-dipropyl-2,3-dihydro-1-benzosilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dipropyl-2,3-dihydro-1-benzosilole?
The IUPAC name of 1,1-dipropyl-2,3-dihydro-1-benzosilole (CID 583937) is 1,1-dipropyl-2,3-dihydro-1-benzosilole.
What is the SMILES notation for 1,1-dipropyl-2,3-dihydro-1-benzosilole?
The canonical SMILES for 1,1-dipropyl-2,3-dihydro-1-benzosilole is CCC[Si]1(CCC)CCc2ccccc21.
What is the InChIKey of 1,1-dipropyl-2,3-dihydro-1-benzosilole?
The InChIKey is BQBRUUXPJLTFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Si/c1-3-10-15(11-4-2)12-9-13-7-5-6-8-14(13)15/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1,1-dipropyl-2,3-dihydro-1-benzosilole?
1,1-dipropyl-2,3-dihydro-1-benzosilole has a molecular weight of 218.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipropyl-2,3-dihydro-1-benzosilole is sourced from PubChem (CID 583937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).