[3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane

C23H54O3Si3 — CID 123715990

IUPAC[3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane
SMILESCCC(CC)(O[Si](C)(CC)C(CC)(CC)O[Si](C)(C)C)C(CC)(CC)[Si](C)(C)O
InChIInChI=1S/C23H54O3Si3/c1-14-21(15-2,22(16-3,17-4)28(11,12)24)25-29(13,20-7)23(18-5,19-6)26-27(8,9)10/h24H,14-20H2,1-13H3
InChIKeyGGUHHVCTTBAVJB-UHFFFAOYSA-N
MW462.94 g/mol
LogP7.86
Rot. Bonds14

About [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane

[3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane (PubChem CID 123715990) has the molecular formula C23H54O3Si3 and a molecular weight of 462.94 g/mol. Its IUPAC name is [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane.

Molecular Properties

Compound Name[3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane
PubChem CID123715990
Molecular FormulaC23H54O3Si3
Molecular Weight462.94 g/mol
Exact Mass462.34
IUPAC Name[3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane
SMILESCCC(CC)(O[Si](C)(CC)C(CC)(CC)O[Si](C)(C)C)C(CC)(CC)[Si](C)(C)O
InChIInChI=1S/C23H54O3Si3/c1-14-21(15-2,22(16-3,17-4)28(11,12)24)25-29(13,20-7)23(18-5,19-6)26-27(8,9)10/h24H,14-20H2,1-13H3
InChIKeyGGUHHVCTTBAVJB-UHFFFAOYSA-N
XLogP7.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.94
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane
CID 90394438
Trimethyl-(2,3,3,4-tetramethyl-4-trimethylsilylhexan-2-yl)oxysilane
CID 20603291
(2,3-Dimethyl-2-trimethylsilyloxypentan-3-yl)-trimethylsilane
CID 20603292
Rutherfordium;trimethyl-(2,3,4-trimethyl-4-trimethylsilyloxypentan-2-yl)silane
CID 59623005
[2,3-Diethyl-2-[methyl-tetradecyl-(2-trimethylsilylbutan-2-yloxy)silyl]pentan-3-yl]oxy-[4-[dimethyl(trimethylsilyloxy)silyl]oxy-3-ethyl-4-methylhexan-3-yl]-dodecyl-methylsilane
CID 89473067
[3-[Dimethyl(1-trimethylsilylethoxy)silyl]-2-ethyl-3-methylpentan-2-yl]oxy-ethenyl-methyl-(1-trimethylsilylethyl)silane
CID 89552830
[4-[Dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-[2-[dimethyl(1-trimethylsilylpropoxy)silyl]-2,3-dimethylpentan-3-yl]oxy-methyl-propylsilane
CID 89552887
2,3-Dimethylpentan-2-yl-[2-[hydroxy(dimethyl)silyl]propan-2-yloxy]-dimethylsilane
CID 89562519
[(3R,4R)-4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-dimethylhexan-3-yl]-ethyl-methyl-[(2S)-2-trimethylsilylbutan-2-yl]oxysilane
CID 89839413
[2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane
CID 90222309
(2,3-Dimethyl-2-trimethylsilyloxypentan-3-yl)-trimethylsilane;ethyl-[2-[ethyl(dimethyl)silyl]oxypropan-2-yl]-dimethylsilane;trimethyl(2-methylbutan-2-yloxy)silane;trimethyl-(2,3,3,4-tetramethyl-4-trimethylsilylhexan-2-yl)oxysilane
CID 91431124
3,4-Diethylhexan-3-yl-(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilane
CID 123137843

Frequently Asked Questions

What is the IUPAC name of [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane?
The IUPAC name of [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane (CID 123715990) is [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane.
What is the SMILES notation for [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane?
The canonical SMILES for [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane is CCC(CC)(O[Si](C)(CC)C(CC)(CC)O[Si](C)(C)C)C(CC)(CC)[Si](C)(C)O.
What is the InChIKey of [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane?
The InChIKey is GGUHHVCTTBAVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O3Si3/c1-14-21(15-2,22(16-3,17-4)28(11,12)24)25-29(13,20-7)23(18-5,19-6)26-27(8,9)10/h24H,14-20H2,1-13H3.
What are the key properties of [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane?
[3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane has a molecular weight of 462.94 g/mol, XLogP of 7.86, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane is sourced from PubChem (CID 123715990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).