tributylsilyl butanoate

C16H34O2Si — CID 615215

IUPACtributylsilyl butanoate
SMILESCCCC[Si](CCCC)(CCCC)OC(=O)CCC
InChIInChI=1S/C16H34O2Si/c1-5-9-13-19(14-10-6-2,15-11-7-3)18-16(17)12-8-4/h5-15H2,1-4H3
InChIKeyYBFLEQMFFZFFIJ-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.68
Rot. Bonds12

About tributylsilyl butanoate

tributylsilyl butanoate (PubChem CID 615215) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is tributylsilyl butanoate.

Molecular Properties

Compound Nametributylsilyl butanoate
PubChem CID615215
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametributylsilyl butanoate
SMILESCCCC[Si](CCCC)(CCCC)OC(=O)CCC
InChIInChI=1S/C16H34O2Si/c1-5-9-13-19(14-10-6-2,15-11-7-3)18-16(17)12-8-4/h5-15H2,1-4H3
InChIKeyYBFLEQMFFZFFIJ-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trioctylsilyl 4-chlorobutanoate
CID 87706468
[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
CID 87144314
tripropylsilyl 4-hydroxybutanoate
CID 87706065
(Z)-3-(3-oxo-3-tributylsilyloxypropoxy)carbonylhept-2-enoic acid
CID 141075861
tripropylsilyl propanoate
CID 604402
tridodecylsilyl acetate
CID 22926548
trioctylsilyl 4-prop-2-enoyloxybutanoate
CID 141076015
1-O-butyl 4-O-(2-oxo-2-tributylsilyloxyethyl) but-2-enedioate
CID 91034666
trimethoxysilyl butanoate
CID 14250206
1-O-[dibutyl(octyl)silyl] 4-O-methyl 2-methylidenebutanedioate
CID 19063311
(E)-3-methyl-4-oxo-4-tributylsilyloxybut-2-enoic acid
CID 19079956
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118

Frequently Asked Questions

What is the IUPAC name of tributylsilyl butanoate?
The IUPAC name of tributylsilyl butanoate (CID 615215) is tributylsilyl butanoate.
What is the SMILES notation for tributylsilyl butanoate?
The canonical SMILES for tributylsilyl butanoate is CCCC[Si](CCCC)(CCCC)OC(=O)CCC.
What is the InChIKey of tributylsilyl butanoate?
The InChIKey is YBFLEQMFFZFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-5-9-13-19(14-10-6-2,15-11-7-3)18-16(17)12-8-4/h5-15H2,1-4H3.
What are the key properties of tributylsilyl butanoate?
tributylsilyl butanoate has a molecular weight of 286.53 g/mol, XLogP of 5.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylsilyl butanoate is sourced from PubChem (CID 615215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).