(7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane

C10H18Br2OSi — CID 13040569

IUPAC(7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC12CCCCC1C2(Br)Br
InChIInChI=1S/C10H18Br2OSi/c1-14(2,3)13-9-7-5-4-6-8(9)10(9,11)12/h8H,4-7H2,1-3H3
InChIKeyBHLCIGVTBZIFGD-UHFFFAOYSA-N
MW342.15 g/mol
LogP4.27
Rot. Bonds2

About (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane

(7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane (PubChem CID 13040569) has the molecular formula C10H18Br2OSi and a molecular weight of 342.15 g/mol. Its IUPAC name is (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane.

Molecular Properties

Compound Name(7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
PubChem CID13040569
Molecular FormulaC10H18Br2OSi
Molecular Weight342.15 g/mol
Exact Mass339.95
IUPAC Name(7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC12CCCCC1C2(Br)Br
InChIInChI=1S/C10H18Br2OSi/c1-14(2,3)13-9-7-5-4-6-8(9)10(9,11)12/h8H,4-7H2,1-3H3
InChIKeyBHLCIGVTBZIFGD-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Trimethylsiloxybicyclo[4.1.0]heptane
CID 11063094
[(1R,6R)-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129403949
[(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane
CID 10016342
[(1R,6R,7S)-7-bromo-1-bicyclo[4.1.0]heptanyl]oxy-tert-butyl-dimethylsilane
CID 10542607
tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane
CID 10846938
1-Bicyclo[4.1.0]heptanyloxy-tert-butyl-dimethylsilane
CID 74412131
[(1S)-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 101517153
[(1S,6R)-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129403950
[(1R,6S)-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129403951
[(1S,6S)-1-bicyclo[4.1.0]heptanyl]oxy-trimethylsilane
CID 129403952

Frequently Asked Questions

What is the IUPAC name of (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane?
The IUPAC name of (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane (CID 13040569) is (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane.
What is the SMILES notation for (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane?
The canonical SMILES for (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane is C[Si](C)(C)OC12CCCCC1C2(Br)Br.
What is the InChIKey of (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane?
The InChIKey is BHLCIGVTBZIFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2OSi/c1-14(2,3)13-9-7-5-4-6-8(9)10(9,11)12/h8H,4-7H2,1-3H3.
What are the key properties of (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane?
(7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane has a molecular weight of 342.15 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dibromo-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane is sourced from PubChem (CID 13040569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).