toluene;1,1,2-triethoxy-2-ethylsilinane

C20H36O3Si — CID 174816258

IUPACtoluene;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.Cc1ccccc1
InChIInChI=1S/C13H28O3Si.C7H8/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-7-5-3-2-4-6-7/h5-12H2,1-4H3;2-6H,1H3
InChIKeyAUXBPRRWFYSNOI-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.41
Rot. Bonds7

About toluene;1,1,2-triethoxy-2-ethylsilinane

toluene;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174816258) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is toluene;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Nametoluene;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174816258
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Nametoluene;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.Cc1ccccc1
InChIInChI=1S/C13H28O3Si.C7H8/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-7-5-3-2-4-6-7/h5-12H2,1-4H3;2-6H,1H3
InChIKeyAUXBPRRWFYSNOI-UHFFFAOYSA-N
XLogP5.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
CID 174609072
phenanthrene;1,1,2-triethoxy-2-ethylsilinane
CID 174932363
propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
CID 174609070
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706
(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349
1,1,2,2-tetraethoxysilinane
CID 174248265
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
CID 174976602
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
2-decyl-1,1,2-triethoxysilinane;1-fluoro-1,2,3,4-tetrahydrochrysene
CID 174391198
[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
CID 174964240

Frequently Asked Questions

What is the IUPAC name of toluene;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of toluene;1,1,2-triethoxy-2-ethylsilinane (CID 174816258) is toluene;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for toluene;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for toluene;1,1,2-triethoxy-2-ethylsilinane is CCOC1(CC)CCCC[Si]1(OCC)OCC.Cc1ccccc1.
What is the InChIKey of toluene;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is AUXBPRRWFYSNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si.C7H8/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-7-5-3-2-4-6-7/h5-12H2,1-4H3;2-6H,1H3.
What are the key properties of toluene;1,1,2-triethoxy-2-ethylsilinane?
toluene;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 352.59 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174816258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).