tetrakis(4-methylhexyl) silicate

C28H60O4Si — CID 15607135

IUPACtetrakis(4-methylhexyl) silicate
SMILESCCC(C)CCCO[Si](OCCCC(C)CC)(OCCCC(C)CC)OCCCC(C)CC
InChIInChI=1S/C28H60O4Si/c1-9-25(5)17-13-21-29-33(30-22-14-18-26(6)10-2,31-23-15-19-27(7)11-3)32-24-16-20-28(8)12-4/h25-28H,9-24H2,1-8H3
InChIKeyDJRQIYZINWRUOC-UHFFFAOYSA-N
MW488.87 g/mol
LogP8.79
Rot. Bonds24

About tetrakis(4-methylhexyl) silicate

tetrakis(4-methylhexyl) silicate (PubChem CID 15607135) has the molecular formula C28H60O4Si and a molecular weight of 488.87 g/mol. Its IUPAC name is tetrakis(4-methylhexyl) silicate.

Molecular Properties

Compound Nametetrakis(4-methylhexyl) silicate
PubChem CID15607135
Molecular FormulaC28H60O4Si
Molecular Weight488.87 g/mol
Exact Mass488.43
IUPAC Nametetrakis(4-methylhexyl) silicate
SMILESCCC(C)CCCO[Si](OCCCC(C)CC)(OCCCC(C)CC)OCCCC(C)CC
InChIInChI=1S/C28H60O4Si/c1-9-25(5)17-13-21-29-33(30-22-14-18-26(6)10-2,31-23-15-19-27(7)11-3)32-24-16-20-28(8)12-4/h25-28H,9-24H2,1-8H3
InChIKeyDJRQIYZINWRUOC-UHFFFAOYSA-N
XLogP8.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.87
LogP ≤ 58.79
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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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-methylhexyl) silicate?
The IUPAC name of tetrakis(4-methylhexyl) silicate (CID 15607135) is tetrakis(4-methylhexyl) silicate.
What is the SMILES notation for tetrakis(4-methylhexyl) silicate?
The canonical SMILES for tetrakis(4-methylhexyl) silicate is CCC(C)CCCO[Si](OCCCC(C)CC)(OCCCC(C)CC)OCCCC(C)CC.
What is the InChIKey of tetrakis(4-methylhexyl) silicate?
The InChIKey is DJRQIYZINWRUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O4Si/c1-9-25(5)17-13-21-29-33(30-22-14-18-26(6)10-2,31-23-15-19-27(7)11-3)32-24-16-20-28(8)12-4/h25-28H,9-24H2,1-8H3.
What are the key properties of tetrakis(4-methylhexyl) silicate?
tetrakis(4-methylhexyl) silicate has a molecular weight of 488.87 g/mol, XLogP of 8.79, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-methylhexyl) silicate is sourced from PubChem (CID 15607135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).