[1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane

C32H78O4Si6 — CID 155771706

IUPAC[1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCC(C)(CCC[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C32H78O4Si6/c1-17-20-27-37(5,6)34-39(9,10)30-23-25-32(4,33-42(15,16)36-41(13,14)29-22-19-3)26-24-31-40(11,12)35-38(7,8)28-21-18-2/h17-31H2,1-16H3
InChIKeyPIYDCTDYZPYWLK-UHFFFAOYSA-N
MW695.49 g/mol
LogP12.50
Rot. Bonds25

About [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane

[1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 155771706) has the molecular formula C32H78O4Si6 and a molecular weight of 695.49 g/mol. Its IUPAC name is [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Name[1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane
PubChem CID155771706
Molecular FormulaC32H78O4Si6
Molecular Weight695.49 g/mol
Exact Mass694.45
IUPAC Name[1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCC(C)(CCC[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C32H78O4Si6/c1-17-20-27-37(5,6)34-39(9,10)30-23-25-32(4,33-42(15,16)36-41(13,14)29-22-19-3)26-24-31-40(11,12)35-38(7,8)28-21-18-2/h17-31H2,1-16H3
InChIKeyPIYDCTDYZPYWLK-UHFFFAOYSA-N
XLogP12.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.49
LogP ≤ 512.50
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

[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-[Dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-3-methylpentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-propylsilane
CID 89552924
Ethoxy-[3-[ethoxy-[2-[ethoxy-(1-ethoxypropyl)-methylsilyl]oxy-1,1-diethylbutyl]-methylsilyl]oxy-2-ethylpentan-2-yl]-methyl-(3-methylpentan-3-yloxy)silane
CID 89741885
[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
[1,2-Diethyl-2-[[3-[(1-ethyl-1-trimethylsilylpropoxy)-methyl-tetradecylsilyl]-2,3-dimethylbutan-2-yl]oxy-dimethylsilyl]butoxy]-dimethyl-(3-trimethylsilyloxypentan-3-yl)silane
CID 89981036
Decyl-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane
CID 89981038
[2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane
CID 90221577
Decyl-[4-[dimethyl(3-trimethylsilyloxypentan-3-yl)silyl]oxy-3-methylhexan-3-yl]-methyl-(2-trimethylsilylbutan-2-yloxy)silane
CID 90222308
[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
[4-[dimethyl(1-trimethylsilyloxyethyl)silyl]oxy-4-methylhexan-3-yl]-[(2R)-2-ethyl-3-(4-ethyl-2-methyl-4-trimethylsilyloxasiletan-2-yl)pentan-2-yl]oxy-methyl-propylsilane
CID 90321169

Frequently Asked Questions

What is the IUPAC name of [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane (CID 155771706) is [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane is CCCC[Si](C)(C)O[Si](C)(C)CCCC(C)(CCC[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is PIYDCTDYZPYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H78O4Si6/c1-17-20-27-37(5,6)34-39(9,10)30-23-25-32(4,33-42(15,16)36-41(13,14)29-22-19-3)26-24-31-40(11,12)35-38(7,8)28-21-18-2/h17-31H2,1-16H3.
What are the key properties of [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane?
[1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 695.49 g/mol, XLogP of 12.50, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 155771706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).