tributyl pentyl silicate

C17H38O4Si — CID 524737

IUPACtributyl pentyl silicate
SMILESCCCCCO[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C17H38O4Si/c1-5-9-13-17-21-22(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-17H2,1-4H3
InChIKeyQSTQHAMMCFWJFS-UHFFFAOYSA-N
MW334.57 g/mol
LogP5.08
Rot. Bonds17

About tributyl pentyl silicate

tributyl pentyl silicate (PubChem CID 524737) has the molecular formula C17H38O4Si and a molecular weight of 334.57 g/mol. Its IUPAC name is tributyl pentyl silicate.

Molecular Properties

Compound Nametributyl pentyl silicate
PubChem CID524737
Molecular FormulaC17H38O4Si
Molecular Weight334.57 g/mol
Exact Mass334.25
IUPAC Nametributyl pentyl silicate
SMILESCCCCCO[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C17H38O4Si/c1-5-9-13-17-21-22(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-17H2,1-4H3
InChIKeyQSTQHAMMCFWJFS-UHFFFAOYSA-N
XLogP5.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.57
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dibutyl dipentyl silicate
CID 524713
tributyl octyl silicate
CID 141280761
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
dipentyl dipropyl silicate
CID 524722
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
methyl tripentyl silicate
CID 524731
dimethyl pentyl propyl silicate
CID 524721
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
tetrabutyl silicate;tetrakis(dimethylsilyl) silicate
CID 160799729

Frequently Asked Questions

What is the IUPAC name of tributyl pentyl silicate?
The IUPAC name of tributyl pentyl silicate (CID 524737) is tributyl pentyl silicate.
What is the SMILES notation for tributyl pentyl silicate?
The canonical SMILES for tributyl pentyl silicate is CCCCCO[Si](OCCCC)(OCCCC)OCCCC.
What is the InChIKey of tributyl pentyl silicate?
The InChIKey is QSTQHAMMCFWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O4Si/c1-5-9-13-17-21-22(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-17H2,1-4H3.
What are the key properties of tributyl pentyl silicate?
tributyl pentyl silicate has a molecular weight of 334.57 g/mol, XLogP of 5.08, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl pentyl silicate is sourced from PubChem (CID 524737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).