ethyl tris(2-ethylhexyl) silicate

C26H56O4Si — CID 20542505

IUPACethyl tris(2-ethylhexyl) silicate
SMILESCCCCC(CC)CO[Si](OCC)(OCC(CC)CCCC)OCC(CC)CCCC
InChIInChI=1S/C26H56O4Si/c1-8-15-18-24(11-4)21-28-31(27-14-7,29-22-25(12-5)19-16-9-2)30-23-26(13-6)20-17-10-3/h24-26H,8-23H2,1-7H3
InChIKeyBCHMLKPTNNTFAY-UHFFFAOYSA-N
MW460.82 g/mol
LogP8.16
Rot. Bonds23

About ethyl tris(2-ethylhexyl) silicate

ethyl tris(2-ethylhexyl) silicate (PubChem CID 20542505) has the molecular formula C26H56O4Si and a molecular weight of 460.82 g/mol. Its IUPAC name is ethyl tris(2-ethylhexyl) silicate.

Molecular Properties

Compound Nameethyl tris(2-ethylhexyl) silicate
PubChem CID20542505
Molecular FormulaC26H56O4Si
Molecular Weight460.82 g/mol
Exact Mass460.39
IUPAC Nameethyl tris(2-ethylhexyl) silicate
SMILESCCCCC(CC)CO[Si](OCC)(OCC(CC)CCCC)OCC(CC)CCCC
InChIInChI=1S/C26H56O4Si/c1-8-15-18-24(11-4)21-28-31(27-14-7,29-22-25(12-5)19-16-9-2)30-23-26(13-6)20-17-10-3/h24-26H,8-23H2,1-7H3
InChIKeyBCHMLKPTNNTFAY-UHFFFAOYSA-N
XLogP8.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.82
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2-octyldodecyl) silicate
CID 121237444
tributyl(2-ethylhexoxy)silane
CID 623167
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
ethyl-(2-ethylhexoxy)-dimethoxysilane
CID 175827812
ethenyl-bis(2-ethylhexoxy)-methylsilane
CID 23213487
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
dodecoxy-(2-ethylhexoxy)-dimethylsilane
CID 91743791
[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036
3-(difluoromethoxymethyl)heptane
CID 162429038
CID 88774019
CID 88774019
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100

Frequently Asked Questions

What is the IUPAC name of ethyl tris(2-ethylhexyl) silicate?
The IUPAC name of ethyl tris(2-ethylhexyl) silicate (CID 20542505) is ethyl tris(2-ethylhexyl) silicate.
What is the SMILES notation for ethyl tris(2-ethylhexyl) silicate?
The canonical SMILES for ethyl tris(2-ethylhexyl) silicate is CCCCC(CC)CO[Si](OCC)(OCC(CC)CCCC)OCC(CC)CCCC.
What is the InChIKey of ethyl tris(2-ethylhexyl) silicate?
The InChIKey is BCHMLKPTNNTFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O4Si/c1-8-15-18-24(11-4)21-28-31(27-14-7,29-22-25(12-5)19-16-9-2)30-23-26(13-6)20-17-10-3/h24-26H,8-23H2,1-7H3.
What are the key properties of ethyl tris(2-ethylhexyl) silicate?
ethyl tris(2-ethylhexyl) silicate has a molecular weight of 460.82 g/mol, XLogP of 8.16, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tris(2-ethylhexyl) silicate is sourced from PubChem (CID 20542505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).