[(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane

C11H21BrOSi — CID 10016342

IUPAC[(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane
SMILESCO[C@@]12CCCC[C@@H]1[C@@]2(Br)[Si](C)(C)C
InChIInChI=1S/C11H21BrOSi/c1-13-10-8-6-5-7-9(10)11(10,12)14(2,3)4/h9H,5-8H2,1-4H3/t9-,10-,11+/m0/s1
InChIKeyJVSMXPFMWWEVCH-GARJFASQSA-N
MW277.28 g/mol
LogP3.59
Rot. Bonds2

About [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane

[(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane (PubChem CID 10016342) has the molecular formula C11H21BrOSi and a molecular weight of 277.28 g/mol. Its IUPAC name is [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane.

Molecular Properties

Compound Name[(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane
PubChem CID10016342
Molecular FormulaC11H21BrOSi
Molecular Weight277.28 g/mol
Exact Mass276.05
IUPAC Name[(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane
SMILESCO[C@@]12CCCC[C@@H]1[C@@]2(Br)[Si](C)(C)C
InChIInChI=1S/C11H21BrOSi/c1-13-10-8-6-5-7-9(10)11(10,12)14(2,3)4/h9H,5-8H2,1-4H3/t9-,10-,11+/m0/s1
InChIKeyJVSMXPFMWWEVCH-GARJFASQSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane?
The IUPAC name of [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane (CID 10016342) is [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane.
What is the SMILES notation for [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane?
The canonical SMILES for [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane is CO[C@@]12CCCC[C@@H]1[C@@]2(Br)[Si](C)(C)C.
What is the InChIKey of [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane?
The InChIKey is JVSMXPFMWWEVCH-GARJFASQSA-N. The full InChI is InChI=1S/C11H21BrOSi/c1-13-10-8-6-5-7-9(10)11(10,12)14(2,3)4/h9H,5-8H2,1-4H3/t9-,10-,11+/m0/s1.
What are the key properties of [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane?
[(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane has a molecular weight of 277.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S,7S)-7-bromo-1-methoxy-7-bicyclo[4.1.0]heptanyl]-trimethylsilane is sourced from PubChem (CID 10016342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).