trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane

C18H37Cl3O3Si — CID 142736707

IUPACtrichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane
SMILESCOCCOCCCCOCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H37Cl3O3Si/c1-22-16-17-24-15-11-10-14-23-13-9-7-5-3-2-4-6-8-12-18-25(19,20)21/h2-18H2,1H3
InChIKeyWBVLLDBSQMGQNM-UHFFFAOYSA-N
MW435.94 g/mol
LogP6.61
Rot. Bonds20

About trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane

trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane (PubChem CID 142736707) has the molecular formula C18H37Cl3O3Si and a molecular weight of 435.94 g/mol. Its IUPAC name is trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane.

Molecular Properties

Compound Nametrichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane
PubChem CID142736707
Molecular FormulaC18H37Cl3O3Si
Molecular Weight435.94 g/mol
Exact Mass434.16
IUPAC Nametrichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane
SMILESCOCCOCCCCOCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H37Cl3O3Si/c1-22-16-17-24-15-11-10-14-23-13-9-7-5-3-2-4-6-8-12-18-25(19,20)21/h2-18H2,1H3
InChIKeyWBVLLDBSQMGQNM-UHFFFAOYSA-N
XLogP6.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.94
LogP ≤ 56.61
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

1,8-bis(2-methoxyethoxy)octane
CID 143118909
trimethoxy-[11-(2-methoxyethoxy)undecyl]silane
CID 88574364
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
methoxy-[11-[3-(2-methoxyethoxy)propoxy]undecyl]-dimethylsilane
CID 142718663
methoxy-[11-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]undecyl]-dimethylsilane
CID 142718573
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane
CID 142736692
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806

Frequently Asked Questions

What is the IUPAC name of trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane?
The IUPAC name of trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane (CID 142736707) is trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane.
What is the SMILES notation for trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane?
The canonical SMILES for trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane is COCCOCCCCOCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane?
The InChIKey is WBVLLDBSQMGQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37Cl3O3Si/c1-22-16-17-24-15-11-10-14-23-13-9-7-5-3-2-4-6-8-12-18-25(19,20)21/h2-18H2,1H3.
What are the key properties of trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane?
trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane has a molecular weight of 435.94 g/mol, XLogP of 6.61, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane is sourced from PubChem (CID 142736707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).