4-bromobutyl-dimethyl-octylsilane

C14H31BrSi — CID 54432405

IUPAC4-bromobutyl-dimethyl-octylsilane
SMILESCCCCCCCC[Si](C)(C)CCCCBr
InChIInChI=1S/C14H31BrSi/c1-4-5-6-7-8-10-13-16(2,3)14-11-9-12-15/h4-14H2,1-3H3
InChIKeyWIJVBDRCGBXRPS-UHFFFAOYSA-N
MW307.39 g/mol
LogP6.23
Rot. Bonds11

About 4-bromobutyl-dimethyl-octylsilane

4-bromobutyl-dimethyl-octylsilane (PubChem CID 54432405) has the molecular formula C14H31BrSi and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-bromobutyl-dimethyl-octylsilane.

Molecular Properties

Compound Name4-bromobutyl-dimethyl-octylsilane
PubChem CID54432405
Molecular FormulaC14H31BrSi
Molecular Weight307.39 g/mol
Exact Mass306.14
IUPAC Name4-bromobutyl-dimethyl-octylsilane
SMILESCCCCCCCC[Si](C)(C)CCCCBr
InChIInChI=1S/C14H31BrSi/c1-4-5-6-7-8-10-13-16(2,3)14-11-9-12-15/h4-14H2,1-3H3
InChIKeyWIJVBDRCGBXRPS-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromobutyl-dimethyl-octylsilane 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 4-bromobutyl-dimethyl-octylsilane?
The IUPAC name of 4-bromobutyl-dimethyl-octylsilane (CID 54432405) is 4-bromobutyl-dimethyl-octylsilane.
What is the SMILES notation for 4-bromobutyl-dimethyl-octylsilane?
The canonical SMILES for 4-bromobutyl-dimethyl-octylsilane is CCCCCCCC[Si](C)(C)CCCCBr.
What is the InChIKey of 4-bromobutyl-dimethyl-octylsilane?
The InChIKey is WIJVBDRCGBXRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BrSi/c1-4-5-6-7-8-10-13-16(2,3)14-11-9-12-15/h4-14H2,1-3H3.
What are the key properties of 4-bromobutyl-dimethyl-octylsilane?
4-bromobutyl-dimethyl-octylsilane has a molecular weight of 307.39 g/mol, XLogP of 6.23, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl-dimethyl-octylsilane is sourced from PubChem (CID 54432405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).