6-triethoxysilylhexan-2-yl acetate

C14H30O5Si — CID 141100051

IUPAC6-triethoxysilylhexan-2-yl acetate
SMILESCCO[Si](CCCCC(C)OC(C)=O)(OCC)OCC
InChIInChI=1S/C14H30O5Si/c1-6-16-20(17-7-2,18-8-3)12-10-9-11-13(4)19-14(5)15/h13H,6-12H2,1-5H3
InChIKeyWCANVTKTGCTDFJ-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.16
Rot. Bonds12

About 6-triethoxysilylhexan-2-yl acetate

6-triethoxysilylhexan-2-yl acetate (PubChem CID 141100051) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 6-triethoxysilylhexan-2-yl acetate.

Molecular Properties

Compound Name6-triethoxysilylhexan-2-yl acetate
PubChem CID141100051
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name6-triethoxysilylhexan-2-yl acetate
SMILESCCO[Si](CCCCC(C)OC(C)=O)(OCC)OCC
InChIInChI=1S/C14H30O5Si/c1-6-16-20(17-7-2,18-8-3)12-10-9-11-13(4)19-14(5)15/h13H,6-12H2,1-5H3
InChIKeyWCANVTKTGCTDFJ-UHFFFAOYSA-N
XLogP3.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-Acetoxybutyl)trimethoxysilane
CID 102461818
Propionyloxyhexyltriethoxysilane
CID 129851684
[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl] acetate
CID 56971428
1-Trimethylsilylhept-1-yn-3-yl acetate
CID 78133358
[5-Acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate
CID 11001678
[Diacetyloxy-[4-(oxiran-2-yl)butyl]silyl] acetate
CID 18508397
1-Triethoxysilylpropan-2-yl acetate
CID 20275467
1-Trimethoxysilylpropan-2-yl acetate
CID 21074433
[Diacetyloxy-[1-(oxiran-2-yl)butan-2-yl]silyl] acetate
CID 22071887
1-[Diethoxy(methyl)silyl]propan-2-yl acetate
CID 53833038
1-[Dimethoxy(methyl)silyl]propan-2-yl acetate
CID 53889208
5-Ethoxyhexyl(trimethoxy)silane
CID 57559763

Frequently Asked Questions

What is the IUPAC name of 6-triethoxysilylhexan-2-yl acetate?
The IUPAC name of 6-triethoxysilylhexan-2-yl acetate (CID 141100051) is 6-triethoxysilylhexan-2-yl acetate.
What is the SMILES notation for 6-triethoxysilylhexan-2-yl acetate?
The canonical SMILES for 6-triethoxysilylhexan-2-yl acetate is CCO[Si](CCCCC(C)OC(C)=O)(OCC)OCC.
What is the InChIKey of 6-triethoxysilylhexan-2-yl acetate?
The InChIKey is WCANVTKTGCTDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-6-16-20(17-7-2,18-8-3)12-10-9-11-13(4)19-14(5)15/h13H,6-12H2,1-5H3.
What are the key properties of 6-triethoxysilylhexan-2-yl acetate?
6-triethoxysilylhexan-2-yl acetate has a molecular weight of 306.48 g/mol, XLogP of 3.16, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triethoxysilylhexan-2-yl acetate is sourced from PubChem (CID 141100051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).