tributyl octyl silicate

C20H44O4Si — CID 141280761

IUPACtributyl octyl silicate
SMILESCCCCCCCCO[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C20H44O4Si/c1-5-9-13-14-15-16-20-24-25(21-17-10-6-2,22-18-11-7-3)23-19-12-8-4/h5-20H2,1-4H3
InChIKeyVHSQOCNXIWFJOX-UHFFFAOYSA-N
MW376.65 g/mol
LogP6.25
Rot. Bonds20

About tributyl octyl silicate

tributyl octyl silicate (PubChem CID 141280761) has the molecular formula C20H44O4Si and a molecular weight of 376.65 g/mol. Its IUPAC name is tributyl octyl silicate.

Molecular Properties

Compound Nametributyl octyl silicate
PubChem CID141280761
Molecular FormulaC20H44O4Si
Molecular Weight376.65 g/mol
Exact Mass376.30
IUPAC Nametributyl octyl silicate
SMILESCCCCCCCCO[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C20H44O4Si/c1-5-9-13-14-15-16-20-24-25(21-17-10-6-2,22-18-11-7-3)23-19-12-8-4/h5-20H2,1-4H3
InChIKeyVHSQOCNXIWFJOX-UHFFFAOYSA-N
XLogP6.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.65
LogP ≤ 56.25
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

decyl trihexyl silicate
CID 141280760
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
triheptyl pentyl silicate
CID 141280740
nonyl tripentyl silicate
CID 141280747
tridodecyl ethyl silicate
CID 154324829
diethyl dioctyl silicate
CID 154218739
dipentyl dipropyl silicate
CID 524722
methyl tripentyl silicate
CID 524731
ethenyl trihexyl silicate
CID 22134263
hexoxy-dimethyl-undecoxysilane
CID 91742305
hexoxy-dimethyl-nonoxysilane
CID 91741085

Frequently Asked Questions

What is the IUPAC name of tributyl octyl silicate?
The IUPAC name of tributyl octyl silicate (CID 141280761) is tributyl octyl silicate.
What is the SMILES notation for tributyl octyl silicate?
The canonical SMILES for tributyl octyl silicate is CCCCCCCCO[Si](OCCCC)(OCCCC)OCCCC.
What is the InChIKey of tributyl octyl silicate?
The InChIKey is VHSQOCNXIWFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O4Si/c1-5-9-13-14-15-16-20-24-25(21-17-10-6-2,22-18-11-7-3)23-19-12-8-4/h5-20H2,1-4H3.
What are the key properties of tributyl octyl silicate?
tributyl octyl silicate has a molecular weight of 376.65 g/mol, XLogP of 6.25, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl octyl silicate is sourced from PubChem (CID 141280761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).