tributyl tributoxysilyl silicate

C24H54O7Si2 — CID 622844

IUPACtributyl tributoxysilyl silicate
SMILESCCCCO[Si](OCCCC)(OCCCC)O[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C24H54O7Si2/c1-7-13-19-25-32(26-20-14-8-2,27-21-15-9-3)31-33(28-22-16-10-4,29-23-17-11-5)30-24-18-12-6/h7-24H2,1-6H3
InChIKeyPZVJFEBNNXRSMY-UHFFFAOYSA-N
MW510.86 g/mol
LogP6.77
Rot. Bonds26

About tributyl tributoxysilyl silicate

tributyl tributoxysilyl silicate (PubChem CID 622844) has the molecular formula C24H54O7Si2 and a molecular weight of 510.86 g/mol. Its IUPAC name is tributyl tributoxysilyl silicate.

Molecular Properties

Compound Nametributyl tributoxysilyl silicate
PubChem CID622844
Molecular FormulaC24H54O7Si2
Molecular Weight510.86 g/mol
Exact Mass510.34
IUPAC Nametributyl tributoxysilyl silicate
SMILESCCCCO[Si](OCCCC)(OCCCC)O[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C24H54O7Si2/c1-7-13-19-25-32(26-20-14-8-2,27-21-15-9-3)31-33(28-22-16-10-4,29-23-17-11-5)30-24-18-12-6/h7-24H2,1-6H3
InChIKeyPZVJFEBNNXRSMY-UHFFFAOYSA-N
XLogP6.77
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.86
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Tetrabutyl orthosilicate
CID 78500
Silicic acid (H4SiO4), tetrapentyl ester
CID 80798
6,6-Dibutyl-4,4,8,8-tetraethoxy-3,5,7,9-tetraoxa-4,8-disila-6-stannaundecane
CID 16684289
Octaethyl trisilicate
CID 13760838
Silicic acid (H6Si2O7), hexapropyl ester
CID 15633233
1,1,1,5,5,5-Hexabutoxy-3-methyl-3-[(tributoxysilyl)oxy]-trisiloxane
CID 53920904
Silicic acid (H4SiO4), tetrapropyl ester, reaction products with dibutyloxostannane
CID 172348
Diethoxysilanediyl pentaethyl triethoxysilyl bisorthosilicate
CID 14535000
12,12-Dibutyl-4,4,6,6,8,8,10,10-octaethoxy-3,5,7,9,11-pentaoxa-4,6,8,10-tetrasila-12-stannahexadecane
CID 44148627
Hexa(isopropoxy)disiloxane
CID 15853008
Tri(n-butoxy)-tert.-butoxysilane
CID 627698
3,10-Dioxa-4,9-disiladodecane, 4,4,9,9-tetraethoxy-
CID 11143452

Frequently Asked Questions

What is the IUPAC name of tributyl tributoxysilyl silicate?
The IUPAC name of tributyl tributoxysilyl silicate (CID 622844) is tributyl tributoxysilyl silicate.
What is the SMILES notation for tributyl tributoxysilyl silicate?
The canonical SMILES for tributyl tributoxysilyl silicate is CCCCO[Si](OCCCC)(OCCCC)O[Si](OCCCC)(OCCCC)OCCCC.
What is the InChIKey of tributyl tributoxysilyl silicate?
The InChIKey is PZVJFEBNNXRSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O7Si2/c1-7-13-19-25-32(26-20-14-8-2,27-21-15-9-3)31-33(28-22-16-10-4,29-23-17-11-5)30-24-18-12-6/h7-24H2,1-6H3.
What are the key properties of tributyl tributoxysilyl silicate?
tributyl tributoxysilyl silicate has a molecular weight of 510.86 g/mol, XLogP of 6.77, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl tributoxysilyl silicate is sourced from PubChem (CID 622844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).