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

C21H48O3Si2 — CID 91721111

IUPAC[dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCC(C)CC
InChIInChI=1S/C21H48O3Si2/c1-8-10-11-12-13-14-15-16-17-18-19-22-25(4,5)24-26(6,7)23-20-21(3)9-2/h21H,8-20H2,1-7H3
InChIKeyUWCDURAGHLCRFT-UHFFFAOYSA-N
MW404.78 g/mol
LogP7.41
Rot. Bonds18

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

[dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane (PubChem CID 91721111) has the molecular formula C21H48O3Si2 and a molecular weight of 404.78 g/mol. Its IUPAC name is [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane
PubChem CID91721111
Molecular FormulaC21H48O3Si2
Molecular Weight404.78 g/mol
Exact Mass404.31
IUPAC Name[dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCC(C)CC
InChIInChI=1S/C21H48O3Si2/c1-8-10-11-12-13-14-15-16-17-18-19-22-25(4,5)24-26(6,7)23-20-21(3)9-2/h21H,8-20H2,1-7H3
InChIKeyUWCDURAGHLCRFT-UHFFFAOYSA-N
XLogP7.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 57.41
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

Stearoxytrimethylsilane
CID 87778
Silane, dimethylbis(octadecyloxy)-
CID 120117
(Hexadecyloxy)trimethylsilane
CID 22588
Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
1-Docosanol, TMS
CID 529830
(Eicosyloxy)trimethylsilane
CID 6431467
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
1-Trimethylsilyloxytetradecane
CID 522031

Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane?
The IUPAC name of [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane (CID 91721111) is [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane.
What is the SMILES notation for [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane?
The canonical SMILES for [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane is CCCCCCCCCCCCO[Si](C)(C)O[Si](C)(C)OCC(C)CC.
What is the InChIKey of [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane?
The InChIKey is UWCDURAGHLCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O3Si2/c1-8-10-11-12-13-14-15-16-17-18-19-22-25(4,5)24-26(6,7)23-20-21(3)9-2/h21H,8-20H2,1-7H3.
What are the key properties of [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane?
[dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane has a molecular weight of 404.78 g/mol, XLogP of 7.41, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(2-methylbutoxy)silyl]oxy-dodecoxy-dimethylsilane is sourced from PubChem (CID 91721111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).