4-bromohept-1-en-4-yl(dimethyl)silane

C9H19BrSi — CID 173107686

IUPAC4-bromohept-1-en-4-yl(dimethyl)silane
SMILESC=CCC(Br)(CCC)[SiH](C)C
InChIInChI=1S/C9H19BrSi/c1-5-7-9(10,8-6-2)11(3)4/h5,11H,1,6-8H2,2-4H3
InChIKeyIVGJUHSTILCALB-UHFFFAOYSA-N
MW235.24 g/mol
LogP3.52
Rot. Bonds5

About 4-bromohept-1-en-4-yl(dimethyl)silane

4-bromohept-1-en-4-yl(dimethyl)silane (PubChem CID 173107686) has the molecular formula C9H19BrSi and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-bromohept-1-en-4-yl(dimethyl)silane.

Molecular Properties

Compound Name4-bromohept-1-en-4-yl(dimethyl)silane
PubChem CID173107686
Molecular FormulaC9H19BrSi
Molecular Weight235.24 g/mol
Exact Mass234.04
IUPAC Name4-bromohept-1-en-4-yl(dimethyl)silane
SMILESC=CCC(Br)(CCC)[SiH](C)C
InChIInChI=1S/C9H19BrSi/c1-5-7-9(10,8-6-2)11(3)4/h5,11H,1,6-8H2,2-4H3
InChIKeyIVGJUHSTILCALB-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromohept-1-en-4-yl(dimethyl)silane 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-bromohept-1-en-4-yl(dimethyl)silane?
The IUPAC name of 4-bromohept-1-en-4-yl(dimethyl)silane (CID 173107686) is 4-bromohept-1-en-4-yl(dimethyl)silane.
What is the SMILES notation for 4-bromohept-1-en-4-yl(dimethyl)silane?
The canonical SMILES for 4-bromohept-1-en-4-yl(dimethyl)silane is C=CCC(Br)(CCC)[SiH](C)C.
What is the InChIKey of 4-bromohept-1-en-4-yl(dimethyl)silane?
The InChIKey is IVGJUHSTILCALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrSi/c1-5-7-9(10,8-6-2)11(3)4/h5,11H,1,6-8H2,2-4H3.
What are the key properties of 4-bromohept-1-en-4-yl(dimethyl)silane?
4-bromohept-1-en-4-yl(dimethyl)silane has a molecular weight of 235.24 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromohept-1-en-4-yl(dimethyl)silane is sourced from PubChem (CID 173107686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).