1,2-dibutyl-3-octyl-1H-silole

C20H38Si — CID 173240579

IUPAC1,2-dibutyl-3-octyl-1H-silole
SMILESCCCCCCCCC1=C(CCCC)[SiH](CCCC)C=C1
InChIInChI=1S/C20H38Si/c1-4-7-10-11-12-13-14-19-16-18-21(17-9-6-3)20(19)15-8-5-2/h16,18,21H,4-15,17H2,1-3H3
InChIKeyWWUITEZRARSGCL-UHFFFAOYSA-N
MW306.61 g/mol
LogP6.90
Rot. Bonds13

About 1,2-dibutyl-3-octyl-1H-silole

1,2-dibutyl-3-octyl-1H-silole (PubChem CID 173240579) has the molecular formula C20H38Si and a molecular weight of 306.61 g/mol. Its IUPAC name is 1,2-dibutyl-3-octyl-1H-silole.

Molecular Properties

Compound Name1,2-dibutyl-3-octyl-1H-silole
PubChem CID173240579
Molecular FormulaC20H38Si
Molecular Weight306.61 g/mol
Exact Mass306.27
IUPAC Name1,2-dibutyl-3-octyl-1H-silole
SMILESCCCCCCCCC1=C(CCCC)[SiH](CCCC)C=C1
InChIInChI=1S/C20H38Si/c1-4-7-10-11-12-13-14-19-16-18-21(17-9-6-3)20(19)15-8-5-2/h16,18,21H,4-15,17H2,1-3H3
InChIKeyWWUITEZRARSGCL-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.61
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-3-octyl-1H-silole?
The IUPAC name of 1,2-dibutyl-3-octyl-1H-silole (CID 173240579) is 1,2-dibutyl-3-octyl-1H-silole.
What is the SMILES notation for 1,2-dibutyl-3-octyl-1H-silole?
The canonical SMILES for 1,2-dibutyl-3-octyl-1H-silole is CCCCCCCCC1=C(CCCC)[SiH](CCCC)C=C1.
What is the InChIKey of 1,2-dibutyl-3-octyl-1H-silole?
The InChIKey is WWUITEZRARSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38Si/c1-4-7-10-11-12-13-14-19-16-18-21(17-9-6-3)20(19)15-8-5-2/h16,18,21H,4-15,17H2,1-3H3.
What are the key properties of 1,2-dibutyl-3-octyl-1H-silole?
1,2-dibutyl-3-octyl-1H-silole has a molecular weight of 306.61 g/mol, XLogP of 6.90, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-3-octyl-1H-silole is sourced from PubChem (CID 173240579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).