[(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane

C17H35BrO2Si — CID 11036255

IUPAC[(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane
SMILESCCCCC[C@@H](/C=C/[Si](C)(C)C)OC(CBr)OCCCC
InChIInChI=1S/C17H35BrO2Si/c1-6-8-10-11-16(12-14-21(3,4)5)20-17(15-18)19-13-9-7-2/h12,14,16-17H,6-11,13,15H2,1-5H3/b14-12+/t16-,17?/m0/s1
InChIKeyZXIZNHNYUPFKPI-AZDVIZIISA-N
MW379.46 g/mol
LogP5.92
Rot. Bonds13

About [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane

[(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane (PubChem CID 11036255) has the molecular formula C17H35BrO2Si and a molecular weight of 379.46 g/mol. Its IUPAC name is [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane
PubChem CID11036255
Molecular FormulaC17H35BrO2Si
Molecular Weight379.46 g/mol
Exact Mass378.16
IUPAC Name[(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane
SMILESCCCCC[C@@H](/C=C/[Si](C)(C)C)OC(CBr)OCCCC
InChIInChI=1S/C17H35BrO2Si/c1-6-8-10-11-16(12-14-21(3,4)5)20-17(15-18)19-13-9-7-2/h12,14,16-17H,6-11,13,15H2,1-5H3/b14-12+/t16-,17?/m0/s1
InChIKeyZXIZNHNYUPFKPI-AZDVIZIISA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane?
The IUPAC name of [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane (CID 11036255) is [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane?
The canonical SMILES for [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane is CCCCC[C@@H](/C=C/[Si](C)(C)C)OC(CBr)OCCCC.
What is the InChIKey of [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane?
The InChIKey is ZXIZNHNYUPFKPI-AZDVIZIISA-N. The full InChI is InChI=1S/C17H35BrO2Si/c1-6-8-10-11-16(12-14-21(3,4)5)20-17(15-18)19-13-9-7-2/h12,14,16-17H,6-11,13,15H2,1-5H3/b14-12+/t16-,17?/m0/s1.
What are the key properties of [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane?
[(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane has a molecular weight of 379.46 g/mol, XLogP of 5.92, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3-(2-bromo-1-butoxyethoxy)oct-1-enyl]-trimethylsilane is sourced from PubChem (CID 11036255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).