tributyl tert-butyl silicate

C16H36O4Si — CID 627698

IUPACtributyl tert-butyl silicate
SMILESCCCCO[Si](OCCCC)(OCCCC)OC(C)(C)C
InChIInChI=1S/C16H36O4Si/c1-7-10-13-17-21(18-14-11-8-2,19-15-12-9-3)20-16(4,5)6/h7-15H2,1-6H3
InChIKeyMGXMKAKISZBVMH-UHFFFAOYSA-N
MW320.55 g/mol
LogP4.69
Rot. Bonds13

About tributyl tert-butyl silicate

tributyl tert-butyl silicate (PubChem CID 627698) has the molecular formula C16H36O4Si and a molecular weight of 320.55 g/mol. Its IUPAC name is tributyl tert-butyl silicate.

Molecular Properties

Compound Nametributyl tert-butyl silicate
PubChem CID627698
Molecular FormulaC16H36O4Si
Molecular Weight320.55 g/mol
Exact Mass320.24
IUPAC Nametributyl tert-butyl silicate
SMILESCCCCO[Si](OCCCC)(OCCCC)OC(C)(C)C
InChIInChI=1S/C16H36O4Si/c1-7-10-13-17-21(18-14-11-8-2,19-15-12-9-3)20-16(4,5)6/h7-15H2,1-6H3
InChIKeyMGXMKAKISZBVMH-UHFFFAOYSA-N
XLogP4.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.69
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 pentyl silicate
CID 524737
ditert-butyl dimethyl silicate;methyl tripropyl silicate
CID 87785051
tributyl octyl silicate
CID 141280761
3-[butoxy(dimethoxy)silyl]oxypropyl butyl dimethyl silicate
CID 141205267
triheptyl pentyl silicate
CID 141280740
decyl trihexyl silicate
CID 141280760
nonyl tripentyl silicate
CID 141280747
dipentyl dipropyl silicate
CID 524722
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
tetrabutyl silicate;tetrakis(dimethylsilyl) silicate
CID 160799729
methyl tripentyl silicate
CID 524731

Frequently Asked Questions

What is the IUPAC name of tributyl tert-butyl silicate?
The IUPAC name of tributyl tert-butyl silicate (CID 627698) is tributyl tert-butyl silicate.
What is the SMILES notation for tributyl tert-butyl silicate?
The canonical SMILES for tributyl tert-butyl silicate is CCCCO[Si](OCCCC)(OCCCC)OC(C)(C)C.
What is the InChIKey of tributyl tert-butyl silicate?
The InChIKey is MGXMKAKISZBVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O4Si/c1-7-10-13-17-21(18-14-11-8-2,19-15-12-9-3)20-16(4,5)6/h7-15H2,1-6H3.
What are the key properties of tributyl tert-butyl silicate?
tributyl tert-butyl silicate has a molecular weight of 320.55 g/mol, XLogP of 4.69, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl tert-butyl silicate is sourced from PubChem (CID 627698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).