tributylsilyl pentanoate

C17H36O2Si — CID 618157

IUPACtributylsilyl pentanoate
SMILESCCCCC(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C17H36O2Si/c1-5-9-13-17(18)19-20(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyYTUIJLWUNHTRBT-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.07
Rot. Bonds13

About tributylsilyl pentanoate

tributylsilyl pentanoate (PubChem CID 618157) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is tributylsilyl pentanoate.

Molecular Properties

Compound Nametributylsilyl pentanoate
PubChem CID618157
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Nametributylsilyl pentanoate
SMILESCCCCC(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C17H36O2Si/c1-5-9-13-17(18)19-20(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyYTUIJLWUNHTRBT-UHFFFAOYSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.07
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

Valeric acid, trimethylsilyl ester
CID 520262
Butyl triethylsilyl acetate
CID 125473299
tert-Butyl(dimethyl)silyl pentanoate
CID 528100
Butanoic acid, triethylsilyl ester
CID 599320
Pentanoic acid, triethylsilyl ester
CID 604415
Pentanoic acid, tripropylsilyl ester
CID 611964
Bis[tert-butyl(dimethyl)silyl] pentanedioate
CID 552518
Methyl 5-trimethylsilylpentanoate
CID 129828491
[Tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
Hexanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528567
5,8,11,14-Eicosatetraynoic acid, trimethylsilyl ester
CID 12497409
5,8,11,14-Eicosatetraynoic acid, tert-butyldimethylsilyl ester
CID 91697196

Frequently Asked Questions

What is the IUPAC name of tributylsilyl pentanoate?
The IUPAC name of tributylsilyl pentanoate (CID 618157) is tributylsilyl pentanoate.
What is the SMILES notation for tributylsilyl pentanoate?
The canonical SMILES for tributylsilyl pentanoate is CCCCC(=O)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributylsilyl pentanoate?
The InChIKey is YTUIJLWUNHTRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-5-9-13-17(18)19-20(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3.
What are the key properties of tributylsilyl pentanoate?
tributylsilyl pentanoate has a molecular weight of 300.56 g/mol, XLogP of 6.07, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylsilyl pentanoate is sourced from PubChem (CID 618157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).