dodecoxy-(2-ethylhexoxy)-dimethylsilane

C22H48O2Si — CID 91743791

IUPACdodecoxy-(2-ethylhexoxy)-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C22H48O2Si/c1-6-9-11-12-13-14-15-16-17-18-20-23-25(4,5)24-21-22(8-3)19-10-7-2/h22H,6-21H2,1-5H3
InChIKeyHQOAATMVFYBYOA-UHFFFAOYSA-N
MW372.71 g/mol
LogP7.86
Rot. Bonds19

About dodecoxy-(2-ethylhexoxy)-dimethylsilane

dodecoxy-(2-ethylhexoxy)-dimethylsilane (PubChem CID 91743791) has the molecular formula C22H48O2Si and a molecular weight of 372.71 g/mol. Its IUPAC name is dodecoxy-(2-ethylhexoxy)-dimethylsilane.

Molecular Properties

Compound Namedodecoxy-(2-ethylhexoxy)-dimethylsilane
PubChem CID91743791
Molecular FormulaC22H48O2Si
Molecular Weight372.71 g/mol
Exact Mass372.34
IUPAC Namedodecoxy-(2-ethylhexoxy)-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C22H48O2Si/c1-6-9-11-12-13-14-15-16-17-18-20-23-25(4,5)24-21-22(8-3)19-10-7-2/h22H,6-21H2,1-5H3
InChIKeyHQOAATMVFYBYOA-UHFFFAOYSA-N
XLogP7.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.71
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethenyl-(2-ethylhexoxy)-methyl-octoxysilane
CID 91742123
ethenyl-(2-ethylhexoxy)-hexoxy-methylsilane
CID 91740976
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
dimethyl-(2-methylbutoxy)-octadecoxysilane
CID 91744745
docosoxy-dimethyl-(2-methylpropoxy)silane
CID 91745391
heptoxy-dimethyl-(2-methylpropoxy)silane
CID 91736684
heptoxy-dimethyl-(4-methylpentoxy)silane
CID 91739178
hexadecoxy-dimethyl-(4-methylpentoxy)silane
CID 91744434
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
dodecoxy-hexan-2-yloxy-dimethylsilane
CID 91741105
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358

Frequently Asked Questions

What is the IUPAC name of dodecoxy-(2-ethylhexoxy)-dimethylsilane?
The IUPAC name of dodecoxy-(2-ethylhexoxy)-dimethylsilane (CID 91743791) is dodecoxy-(2-ethylhexoxy)-dimethylsilane.
What is the SMILES notation for dodecoxy-(2-ethylhexoxy)-dimethylsilane?
The canonical SMILES for dodecoxy-(2-ethylhexoxy)-dimethylsilane is CCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC.
What is the InChIKey of dodecoxy-(2-ethylhexoxy)-dimethylsilane?
The InChIKey is HQOAATMVFYBYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O2Si/c1-6-9-11-12-13-14-15-16-17-18-20-23-25(4,5)24-21-22(8-3)19-10-7-2/h22H,6-21H2,1-5H3.
What are the key properties of dodecoxy-(2-ethylhexoxy)-dimethylsilane?
dodecoxy-(2-ethylhexoxy)-dimethylsilane has a molecular weight of 372.71 g/mol, XLogP of 7.86, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-(2-ethylhexoxy)-dimethylsilane is sourced from PubChem (CID 91743791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).