1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine

C13H23BrSi — CID 101104150

IUPAC1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine
SMILESC=CCC[Si]1(CCCBr)CCC=CCC1
InChIInChI=1S/C13H23BrSi/c1-2-3-10-15(13-8-9-14)11-6-4-5-7-12-15/h2,4-5H,1,3,6-13H2
InChIKeyUWMHLGIKZIBBFL-UHFFFAOYSA-N
MW287.32 g/mol
LogP5.15
Rot. Bonds6

About 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine

1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine (PubChem CID 101104150) has the molecular formula C13H23BrSi and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine.

Molecular Properties

Compound Name1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine
PubChem CID101104150
Molecular FormulaC13H23BrSi
Molecular Weight287.32 g/mol
Exact Mass286.08
IUPAC Name1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine
SMILESC=CCC[Si]1(CCCBr)CCC=CCC1
InChIInChI=1S/C13H23BrSi/c1-2-3-10-15(13-8-9-14)11-6-4-5-7-12-15/h2,4-5H,1,3,6-13H2
InChIKeyUWMHLGIKZIBBFL-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.32
LogP ≤ 55.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine?
The IUPAC name of 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine (CID 101104150) is 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine.
What is the SMILES notation for 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine?
The canonical SMILES for 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine is C=CCC[Si]1(CCCBr)CCC=CCC1.
What is the InChIKey of 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine?
The InChIKey is UWMHLGIKZIBBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrSi/c1-2-3-10-15(13-8-9-14)11-6-4-5-7-12-15/h2,4-5H,1,3,6-13H2.
What are the key properties of 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine?
1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine has a molecular weight of 287.32 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-1-but-3-enyl-2,3,6,7-tetrahydrosilepine is sourced from PubChem (CID 101104150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).