[(E)-1-bromohept-2-en-3-yl]-trimethylsilane

C10H21BrSi — CID 13168369

IUPAC[(E)-1-bromohept-2-en-3-yl]-trimethylsilane
SMILESCCCC/C(=C\CBr)[Si](C)(C)C
InChIInChI=1S/C10H21BrSi/c1-5-6-7-10(8-9-11)12(2,3)4/h8H,5-7,9H2,1-4H3/b10-8+
InChIKeyGAZZZEXUMLXVKU-CSKARUKUSA-N
MW249.27 g/mol
LogP4.38
Rot. Bonds5

About [(E)-1-bromohept-2-en-3-yl]-trimethylsilane

[(E)-1-bromohept-2-en-3-yl]-trimethylsilane (PubChem CID 13168369) has the molecular formula C10H21BrSi and a molecular weight of 249.27 g/mol. Its IUPAC name is [(E)-1-bromohept-2-en-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-bromohept-2-en-3-yl]-trimethylsilane
PubChem CID13168369
Molecular FormulaC10H21BrSi
Molecular Weight249.27 g/mol
Exact Mass248.06
IUPAC Name[(E)-1-bromohept-2-en-3-yl]-trimethylsilane
SMILESCCCC/C(=C\CBr)[Si](C)(C)C
InChIInChI=1S/C10H21BrSi/c1-5-6-7-10(8-9-11)12(2,3)4/h8H,5-7,9H2,1-4H3/b10-8+
InChIKeyGAZZZEXUMLXVKU-CSKARUKUSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.38
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'}

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Related Compounds

[(E)-1-bromonon-2-en-3-yl]-trimethylsilane
CID 13168376
[(E)-dodec-6-en-6-yl]-trimethylsilane
CID 15938239
triethoxy-[(E)-1-trimethylsilylhex-1-en-2-yl]silane
CID 102500566
5-butyldec-5-ene
CID 15367252
(E)-12-bromo-6-butyldodec-5-ene
CID 10086325
[(Z)-1-bromo-2-butyl-3-methylidenehept-1-enyl]-trimethylsilane
CID 11558741
[(E)-2-butyloct-1-enyl]-trimethylsilane
CID 10037319
[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 101455170
4-butylnon-4-en-1-ynyl(trimethyl)silane
CID 71415263
4-methyloct-3-ene
CID 85445337
(E)-4-[benzyl(dimethyl)silyl]oct-3-en-1-ol
CID 15498888
trimethyl(1-trimethylsilylundec-4-en-1-yn-4-yl)silane
CID 71415261

Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromohept-2-en-3-yl]-trimethylsilane?
The IUPAC name of [(E)-1-bromohept-2-en-3-yl]-trimethylsilane (CID 13168369) is [(E)-1-bromohept-2-en-3-yl]-trimethylsilane.
What is the SMILES notation for [(E)-1-bromohept-2-en-3-yl]-trimethylsilane?
The canonical SMILES for [(E)-1-bromohept-2-en-3-yl]-trimethylsilane is CCCC/C(=C\CBr)[Si](C)(C)C.
What is the InChIKey of [(E)-1-bromohept-2-en-3-yl]-trimethylsilane?
The InChIKey is GAZZZEXUMLXVKU-CSKARUKUSA-N. The full InChI is InChI=1S/C10H21BrSi/c1-5-6-7-10(8-9-11)12(2,3)4/h8H,5-7,9H2,1-4H3/b10-8+.
What are the key properties of [(E)-1-bromohept-2-en-3-yl]-trimethylsilane?
[(E)-1-bromohept-2-en-3-yl]-trimethylsilane has a molecular weight of 249.27 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromohept-2-en-3-yl]-trimethylsilane is sourced from PubChem (CID 13168369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).