2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane

C36H74O5Si — CID 67689097

IUPAC2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane
SMILESCCCCC(CC)COC1(OCC(CC)CCCC)CCC[Si](OCC(CC)CCCC)(OCC(CC)CCCC)O1
InChIInChI=1S/C36H74O5Si/c1-9-17-22-32(13-5)28-37-36(38-29-33(14-6)23-18-10-2)26-21-27-42(41-36,39-30-34(15-7)24-19-11-3)40-31-35(16-8)25-20-12-4/h32-35H,9-31H2,1-8H3
InChIKeyXJQCEIWSYHAULX-UHFFFAOYSA-N
MW615.07 g/mol
LogP11.32
Rot. Bonds28

About 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane

2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane (PubChem CID 67689097) has the molecular formula C36H74O5Si and a molecular weight of 615.07 g/mol. Its IUPAC name is 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane.

Molecular Properties

Compound Name2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane
PubChem CID67689097
Molecular FormulaC36H74O5Si
Molecular Weight615.07 g/mol
Exact Mass614.53
IUPAC Name2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane
SMILESCCCCC(CC)COC1(OCC(CC)CCCC)CCC[Si](OCC(CC)CCCC)(OCC(CC)CCCC)O1
InChIInChI=1S/C36H74O5Si/c1-9-17-22-32(13-5)28-37-36(38-29-33(14-6)23-18-10-2)26-21-27-42(41-36,39-30-34(15-7)24-19-11-3)40-31-35(16-8)25-20-12-4/h32-35H,9-31H2,1-8H3
InChIKeyXJQCEIWSYHAULX-UHFFFAOYSA-N
XLogP11.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.07
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(2-ethylhexoxy)oxetane
CID 174469345
2-[1-(2-ethylhexoxy)cyclobutyl]ethanamine
CID 103273222
[4-(2-ethylhexoxy)oxan-4-yl]methanamine
CID 65051972
N-[2-[1-(2-ethylhexoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273223
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
4-tert-butyl-1-(2-ethylhexoxy)-1-(iodomethyl)cyclohexane
CID 114773371
1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
CID 61365174
[1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate
CID 67371786
3-(difluoromethoxymethyl)heptane
CID 162429038
CID 88774019
CID 88774019
[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane?
The IUPAC name of 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane (CID 67689097) is 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane.
What is the SMILES notation for 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane?
The canonical SMILES for 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane is CCCCC(CC)COC1(OCC(CC)CCCC)CCC[Si](OCC(CC)CCCC)(OCC(CC)CCCC)O1.
What is the InChIKey of 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane?
The InChIKey is XJQCEIWSYHAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O5Si/c1-9-17-22-32(13-5)28-37-36(38-29-33(14-6)23-18-10-2)26-21-27-42(41-36,39-30-34(15-7)24-19-11-3)40-31-35(16-8)25-20-12-4/h32-35H,9-31H2,1-8H3.
What are the key properties of 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane?
2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane has a molecular weight of 615.07 g/mol, XLogP of 11.32, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetrakis(2-ethylhexoxy)oxasilinane is sourced from PubChem (CID 67689097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).