dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane

C18H38Cl2O3Si — CID 142718627

IUPACdichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane
SMILESCCOCCOCCOCCCCCCCCCCC[Si](C)(Cl)Cl
InChIInChI=1S/C18H38Cl2O3Si/c1-3-21-14-15-23-17-16-22-13-11-9-7-5-4-6-8-10-12-18-24(2,19)20/h3-18H2,1-2H3
InChIKeyINUWKYSJUGYHKV-UHFFFAOYSA-N
MW401.49 g/mol
LogP6.12
Rot. Bonds19

About dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane

dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane (PubChem CID 142718627) has the molecular formula C18H38Cl2O3Si and a molecular weight of 401.49 g/mol. Its IUPAC name is dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane.

Molecular Properties

Compound Namedichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane
PubChem CID142718627
Molecular FormulaC18H38Cl2O3Si
Molecular Weight401.49 g/mol
Exact Mass400.20
IUPAC Namedichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane
SMILESCCOCCOCCOCCCCCCCCCCC[Si](C)(Cl)Cl
InChIInChI=1S/C18H38Cl2O3Si/c1-3-21-14-15-23-17-16-22-13-11-9-7-5-4-6-8-10-12-18-24(2,19)20/h3-18H2,1-2H3
InChIKeyINUWKYSJUGYHKV-UHFFFAOYSA-N
XLogP6.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 56.12
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

chloro-[11-(3-ethoxypropoxy)undecyl]-dimethylsilane
CID 142718612
dichloro-[5-[dichloro(methyl)silyl]pentyl]-methylsilane
CID 154317252
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane
CID 142736707
8-[dimethoxy(methyl)silyl]octyl-[8-[10-ethoxydecyl(dimethyl)silyl]octyl]-dimethylsilane
CID 169040245
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-chloro-14-ethoxytetradecane
CID 173330502
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]octane
CID 175685781
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
CID 175685461
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]dodecane
CID 175686372

Frequently Asked Questions

What is the IUPAC name of dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane?
The IUPAC name of dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane (CID 142718627) is dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane.
What is the SMILES notation for dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane?
The canonical SMILES for dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane is CCOCCOCCOCCCCCCCCCCC[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane?
The InChIKey is INUWKYSJUGYHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38Cl2O3Si/c1-3-21-14-15-23-17-16-22-13-11-9-7-5-4-6-8-10-12-18-24(2,19)20/h3-18H2,1-2H3.
What are the key properties of dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane?
dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane has a molecular weight of 401.49 g/mol, XLogP of 6.12, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane is sourced from PubChem (CID 142718627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).