3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane

C12H21BrSi — CID 123162647

IUPAC3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane
SMILESC=CCC(C=C)C(C=C)[SiH2]CCCBr
InChIInChI=1S/C12H21BrSi/c1-4-8-11(5-2)12(6-3)14-10-7-9-13/h4-6,11-12H,1-3,7-10,14H2
InChIKeyPCIGXSGTTNNTIX-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.71
Rot. Bonds9

About 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane

3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane (PubChem CID 123162647) has the molecular formula C12H21BrSi and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane.

Molecular Properties

Compound Name3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane
PubChem CID123162647
Molecular FormulaC12H21BrSi
Molecular Weight273.29 g/mol
Exact Mass272.06
IUPAC Name3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane
SMILESC=CCC(C=C)C(C=C)[SiH2]CCCBr
InChIInChI=1S/C12H21BrSi/c1-4-8-11(5-2)12(6-3)14-10-7-9-13/h4-6,11-12H,1-3,7-10,14H2
InChIKeyPCIGXSGTTNNTIX-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane?
The IUPAC name of 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane (CID 123162647) is 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane.
What is the SMILES notation for 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane?
The canonical SMILES for 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane is C=CCC(C=C)C(C=C)[SiH2]CCCBr.
What is the InChIKey of 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane?
The InChIKey is PCIGXSGTTNNTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrSi/c1-4-8-11(5-2)12(6-3)14-10-7-9-13/h4-6,11-12H,1-3,7-10,14H2.
What are the key properties of 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane?
3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane has a molecular weight of 273.29 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl(4-ethenylhepta-1,6-dien-3-yl)silane is sourced from PubChem (CID 123162647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).