(6-bromo-1-ethoxyhexoxy)-triethylsilane

C14H31BrO2Si — CID 164532189

IUPAC(6-bromo-1-ethoxyhexoxy)-triethylsilane
SMILESCCOC(CCCCCBr)O[Si](CC)(CC)CC
InChIInChI=1S/C14H31BrO2Si/c1-5-16-14(12-10-9-11-13-15)17-18(6-2,7-3)8-4/h14H,5-13H2,1-4H3
InChIKeyNDJNBUAZBPNOJC-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.33
Rot. Bonds12

About (6-bromo-1-ethoxyhexoxy)-triethylsilane

(6-bromo-1-ethoxyhexoxy)-triethylsilane (PubChem CID 164532189) has the molecular formula C14H31BrO2Si and a molecular weight of 339.39 g/mol. Its IUPAC name is (6-bromo-1-ethoxyhexoxy)-triethylsilane.

Molecular Properties

Compound Name(6-bromo-1-ethoxyhexoxy)-triethylsilane
PubChem CID164532189
Molecular FormulaC14H31BrO2Si
Molecular Weight339.39 g/mol
Exact Mass338.13
IUPAC Name(6-bromo-1-ethoxyhexoxy)-triethylsilane
SMILESCCOC(CCCCCBr)O[Si](CC)(CC)CC
InChIInChI=1S/C14H31BrO2Si/c1-5-16-14(12-10-9-11-13-15)17-18(6-2,7-3)8-4/h14H,5-13H2,1-4H3
InChIKeyNDJNBUAZBPNOJC-UHFFFAOYSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.33
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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Related Compounds

1-ethoxydecoxy(triethyl)silane
CID 164532171
16-bromo-1,1-diethoxyhexadecane
CID 88601641
4-bromo-1,1-diethoxybutane
CID 568500
10-bromo-1,1-di(nonoxy)decane
CID 146509943
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261
18-bromo-1-(18-bromo-1-ethoxyoctadec-4-enoxy)-1-ethoxyoctadec-4-ene
CID 163287668
1-bromo-8-(1-ethoxyethoxy)octane
CID 12607748
triethyl(tetradecan-2-yloxy)silane
CID 568550
12,12-diethoxydodec-1-ene
CID 146004846
9-bromo-1,1-bis[(Z)-oct-5-enoxy]nonane
CID 164551897
1-bromo-20-methylhenicosane
CID 10982010
N-(8,8-diethoxyoctoxy)methanamine
CID 143819470

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-ethoxyhexoxy)-triethylsilane?
The IUPAC name of (6-bromo-1-ethoxyhexoxy)-triethylsilane (CID 164532189) is (6-bromo-1-ethoxyhexoxy)-triethylsilane.
What is the SMILES notation for (6-bromo-1-ethoxyhexoxy)-triethylsilane?
The canonical SMILES for (6-bromo-1-ethoxyhexoxy)-triethylsilane is CCOC(CCCCCBr)O[Si](CC)(CC)CC.
What is the InChIKey of (6-bromo-1-ethoxyhexoxy)-triethylsilane?
The InChIKey is NDJNBUAZBPNOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BrO2Si/c1-5-16-14(12-10-9-11-13-15)17-18(6-2,7-3)8-4/h14H,5-13H2,1-4H3.
What are the key properties of (6-bromo-1-ethoxyhexoxy)-triethylsilane?
(6-bromo-1-ethoxyhexoxy)-triethylsilane has a molecular weight of 339.39 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-ethoxyhexoxy)-triethylsilane is sourced from PubChem (CID 164532189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).