dibutyl dihexyl silicate

C20H44O4Si — CID 524714

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

About dibutyl dihexyl silicate

dibutyl dihexyl silicate (PubChem CID 524714) has the molecular formula C20H44O4Si and a molecular weight of 376.65 g/mol. Its IUPAC name is dibutyl dihexyl silicate.

Molecular Properties

Compound Namedibutyl dihexyl silicate
PubChem CID524714
Molecular FormulaC20H44O4Si
Molecular Weight376.65 g/mol
Exact Mass376.30
IUPAC Namedibutyl dihexyl silicate
SMILESCCCCCCO[Si](OCCCC)(OCCCC)OCCCCCC
InChIInChI=1S/C20H44O4Si/c1-5-9-13-15-19-23-25(21-17-11-7-3,22-18-12-8-4)24-20-16-14-10-6-2/h5-20H2,1-4H3
InChIKeyLSXZXKDCMKDQND-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

Tetrabutyl orthosilicate
CID 78500
Silicic acid (H4SiO4), tetrapentyl ester
CID 80798
1-Hexanol, aluminum salt (3:1)
CID 159947
Silicic acid (H4SiO4), tetraoctyl ester
CID 66214
Silane, tris(pentyloxy)-
CID 6335363
Tetrahexyl orthosilicate
CID 259636
Arsenhexoxyd
CID 12022729
Trimethoxy dodecanoxy silane
CID 18520304
Trishexyloxystibine
CID 22755407
Octadecyltrimethoxysilanol
CID 54179259
Octadecylsilicic acid
CID 87221804
Silicic acid (H4SiO4), ethyl trihexadecyl ester
CID 109683

Frequently Asked Questions

What is the IUPAC name of dibutyl dihexyl silicate?
The IUPAC name of dibutyl dihexyl silicate (CID 524714) is dibutyl dihexyl silicate.
What is the SMILES notation for dibutyl dihexyl silicate?
The canonical SMILES for dibutyl dihexyl silicate is CCCCCCO[Si](OCCCC)(OCCCC)OCCCCCC.
What is the InChIKey of dibutyl dihexyl silicate?
The InChIKey is LSXZXKDCMKDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O4Si/c1-5-9-13-15-19-23-25(21-17-11-7-3,22-18-12-8-4)24-20-16-14-10-6-2/h5-20H2,1-4H3.
What are the key properties of dibutyl dihexyl silicate?
dibutyl dihexyl 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 dibutyl dihexyl silicate is sourced from PubChem (CID 524714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).