1,1,2-tributyl-3,4-dimethylsilole

C18H34Si — CID 68815519

IUPAC1,1,2-tributyl-3,4-dimethylsilole
SMILESCCCCC1=C(C)C(C)=C[Si]1(CCCC)CCCC
InChIInChI=1S/C18H34Si/c1-6-9-12-18-17(5)16(4)15-19(18,13-10-7-2)14-11-8-3/h15H,6-14H2,1-5H3
InChIKeyXZFGSOAHHCKBSI-UHFFFAOYSA-N
MW278.56 g/mol
LogP6.58
Rot. Bonds9

About 1,1,2-tributyl-3,4-dimethylsilole

1,1,2-tributyl-3,4-dimethylsilole (PubChem CID 68815519) has the molecular formula C18H34Si and a molecular weight of 278.56 g/mol. Its IUPAC name is 1,1,2-tributyl-3,4-dimethylsilole.

Molecular Properties

Compound Name1,1,2-tributyl-3,4-dimethylsilole
PubChem CID68815519
Molecular FormulaC18H34Si
Molecular Weight278.56 g/mol
Exact Mass278.24
IUPAC Name1,1,2-tributyl-3,4-dimethylsilole
SMILESCCCCC1=C(C)C(C)=C[Si]1(CCCC)CCCC
InChIInChI=1S/C18H34Si/c1-6-9-12-18-17(5)16(4)15-19(18,13-10-7-2)14-11-8-3/h15H,6-14H2,1-5H3
InChIKeyXZFGSOAHHCKBSI-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.56
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2-tributyl-3,4-dimethylsilole 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 1,1,2-tributyl-3,4-dimethylsilole?
The IUPAC name of 1,1,2-tributyl-3,4-dimethylsilole (CID 68815519) is 1,1,2-tributyl-3,4-dimethylsilole.
What is the SMILES notation for 1,1,2-tributyl-3,4-dimethylsilole?
The canonical SMILES for 1,1,2-tributyl-3,4-dimethylsilole is CCCCC1=C(C)C(C)=C[Si]1(CCCC)CCCC.
What is the InChIKey of 1,1,2-tributyl-3,4-dimethylsilole?
The InChIKey is XZFGSOAHHCKBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34Si/c1-6-9-12-18-17(5)16(4)15-19(18,13-10-7-2)14-11-8-3/h15H,6-14H2,1-5H3.
What are the key properties of 1,1,2-tributyl-3,4-dimethylsilole?
1,1,2-tributyl-3,4-dimethylsilole has a molecular weight of 278.56 g/mol, XLogP of 6.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tributyl-3,4-dimethylsilole is sourced from PubChem (CID 68815519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).