dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane

C36H82O3Si4 — CID 123493770

IUPACdimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane
SMILESCCCCCCCC[Si](C)(OC(C)(CC)[Si](C)(C)C)C(CC)(CC)C(CC)(CC)O[Si](C)(C)C(CC)(CC)O[Si](C)(C)C
InChIInChI=1S/C36H82O3Si4/c1-19-27-28-29-30-31-32-43(18,37-33(9,20-2)40(10,11)12)35(23-5,24-6)34(21-3,22-4)38-42(16,17)36(25-7,26-8)39-41(13,14)15/h19-32H2,1-18H3
InChIKeyBPPBUBQXSWWGPV-UHFFFAOYSA-N
MW675.39 g/mol
LogP13.28
Rot. Bonds24

About dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane

dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane (PubChem CID 123493770) has the molecular formula C36H82O3Si4 and a molecular weight of 675.39 g/mol. Its IUPAC name is dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane.

Molecular Properties

Compound Namedimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane
PubChem CID123493770
Molecular FormulaC36H82O3Si4
Molecular Weight675.39 g/mol
Exact Mass674.53
IUPAC Namedimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane
SMILESCCCCCCCC[Si](C)(OC(C)(CC)[Si](C)(C)C)C(CC)(CC)C(CC)(CC)O[Si](C)(C)C(CC)(CC)O[Si](C)(C)C
InChIInChI=1S/C36H82O3Si4/c1-19-27-28-29-30-31-32-43(18,37-33(9,20-2)40(10,11)12)35(23-5,24-6)34(21-3,22-4)38-42(16,17)36(25-7,26-8)39-41(13,14)15/h19-32H2,1-18H3
InChIKeyBPPBUBQXSWWGPV-UHFFFAOYSA-N
XLogP13.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.39
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3,4-Dimethyl-3-(1-trimethylsilylethyl)-4-trimethylsilyloxypentyl]-[[[3,4-dimethyl-3-(1-trimethylsilylethyl)-4-trimethylsilyloxypentyl]-dimethylsilyl]methoxy]-dimethylsilane
CID 23557587
Tert-butyl-(5-butylnonan-5-yloxy)-dimethylsilane
CID 53716179
[(3R)-3,4-dimethyl-3-(1-trimethylsilylethyl)-4-trimethylsilyloxypentyl]-[[[3,4-dimethyl-3-(1-trimethylsilylethyl)-4-trimethylsilyloxypentyl]-dimethylsilyl]oxymethyl]-dimethylsilane
CID 58528216
[3,4-Dimethyl-3-(1-trimethylsilylethyl)-4-trimethylsilyloxypentyl]-[[[3,4-dimethyl-4-trimethylsilyl-3-(2-trimethylsilyloxypropan-2-yl)pentyl]-dimethylsilyl]methoxy]-dimethylsilane
CID 58944515
2,2,3,3,4,4,6,6-Octabutyloxatrisilinane
CID 70580123
Butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane
CID 87183103
(2,3-Dimethyl-2-trimethylsilyloctan-3-yl)oxy-trimethylsilane
CID 89296988
Trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane
CID 89296990
[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
[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
[3-(1,2-Dimethyl-2-trimethylsilyloxysiletan-1-yl)oxy-2,3-dimethylbutan-2-yl]-[2-ethyl-3-[ethyl-methyl-(2-trimethylsilylbutan-2-yloxy)silyl]-3-methylpentan-2-yl]oxy-methyl-octylsilane
CID 89762748
[(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

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane?
The IUPAC name of dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane (CID 123493770) is dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane.
What is the SMILES notation for dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane?
The canonical SMILES for dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane is CCCCCCCC[Si](C)(OC(C)(CC)[Si](C)(C)C)C(CC)(CC)C(CC)(CC)O[Si](C)(C)C(CC)(CC)O[Si](C)(C)C.
What is the InChIKey of dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane?
The InChIKey is BPPBUBQXSWWGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H82O3Si4/c1-19-27-28-29-30-31-32-43(18,37-33(9,20-2)40(10,11)12)35(23-5,24-6)34(21-3,22-4)38-42(16,17)36(25-7,26-8)39-41(13,14)15/h19-32H2,1-18H3.
What are the key properties of dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane?
dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane has a molecular weight of 675.39 g/mol, XLogP of 13.28, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane is sourced from PubChem (CID 123493770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).