dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane

C22H50O3Si2 — CID 91721100

IUPACdodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCC(CC)CC
InChIInChI=1S/C22H50O3Si2/c1-8-11-12-13-14-15-16-17-18-19-20-23-26(4,5)25-27(6,7)24-21-22(9-2)10-3/h22H,8-21H2,1-7H3
InChIKeyPXZPYQORQJWNJJ-UHFFFAOYSA-N
MW418.81 g/mol
LogP7.80
Rot. Bonds19

About dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane

dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 91721100) has the molecular formula C22H50O3Si2 and a molecular weight of 418.81 g/mol. Its IUPAC name is dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namedodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID91721100
Molecular FormulaC22H50O3Si2
Molecular Weight418.81 g/mol
Exact Mass418.33
IUPAC Namedodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCC(CC)CC
InChIInChI=1S/C22H50O3Si2/c1-8-11-12-13-14-15-16-17-18-19-20-23-26(4,5)25-27(6,7)24-21-22(9-2)10-3/h22H,8-21H2,1-7H3
InChIKeyPXZPYQORQJWNJJ-UHFFFAOYSA-N
XLogP7.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.81
LogP ≤ 57.80
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

Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
1,10-decanediol, tBDMS
CID 6430197
1,8-octanediol, tBDMS
CID 6430203
bis(Dodecyloxy)(dimethyl)silane
CID 20716717
Dimethyl(bis(tetradecyloxy))silane
CID 71372948
Silane, dimethyl(dimethyloctyloxysilyloxy)octyloxy-
CID 91744223
Silane, dimethyl(dimethyldecyloxysilyloxy)decyloxy-
CID 91745235
3,12-Dioxa-2,13-disilatetradecane, 2,2,13,13-tetramethyl-
CID 550432
3,14-Dioxa-2,15-disilahexadecane, 2,2,15,15-tetramethyl-
CID 558272
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646

Frequently Asked Questions

What is the IUPAC name of dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane (CID 91721100) is dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane is CCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCC(CC)CC.
What is the InChIKey of dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is PXZPYQORQJWNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O3Si2/c1-8-11-12-13-14-15-16-17-18-19-20-23-26(4,5)25-27(6,7)24-21-22(9-2)10-3/h22H,8-21H2,1-7H3.
What are the key properties of dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane?
dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 418.81 g/mol, XLogP of 7.80, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-[2-ethylbutoxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91721100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).