methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate

C10H19BrO3Si — CID 25070649

IUPACmethyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate
SMILESCOC(=O)CCC(/C=C/Br)O[Si](C)(C)C
InChIInChI=1S/C10H19BrO3Si/c1-13-10(12)6-5-9(7-8-11)14-15(2,3)4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyOYXAUXDVSRZVON-BQYQJAHWSA-N
MW295.25 g/mol
LogP3.07
Rot. Bonds6

About methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate

methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate (PubChem CID 25070649) has the molecular formula C10H19BrO3Si and a molecular weight of 295.25 g/mol. Its IUPAC name is methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate.

Molecular Properties

Compound Namemethyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate
PubChem CID25070649
Molecular FormulaC10H19BrO3Si
Molecular Weight295.25 g/mol
Exact Mass294.03
IUPAC Namemethyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate
SMILESCOC(=O)CCC(/C=C/Br)O[Si](C)(C)C
InChIInChI=1S/C10H19BrO3Si/c1-13-10(12)6-5-9(7-8-11)14-15(2,3)4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyOYXAUXDVSRZVON-BQYQJAHWSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate?
The IUPAC name of methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate (CID 25070649) is methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate.
What is the SMILES notation for methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate?
The canonical SMILES for methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate is COC(=O)CCC(/C=C/Br)O[Si](C)(C)C.
What is the InChIKey of methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate?
The InChIKey is OYXAUXDVSRZVON-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19BrO3Si/c1-13-10(12)6-5-9(7-8-11)14-15(2,3)4/h7-9H,5-6H2,1-4H3/b8-7+.
What are the key properties of methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate?
methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate has a molecular weight of 295.25 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate is sourced from PubChem (CID 25070649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).