trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane

C20H40Cl6O3Si2 — CID 142736692

IUPACtrichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane
SMILESCOCCOCCCCCCOCCCCCCCCCC(C[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C20H40Cl6O3Si2/c1-27-17-18-29-16-12-8-7-11-15-28-14-10-6-4-2-3-5-9-13-20(31(24,25)26)19-30(21,22)23/h20H,2-19H2,1H3
InChIKeyQKIMJHHLZLFJNG-UHFFFAOYSA-N
MW597.43 g/mol
LogP9.03
Rot. Bonds23

About trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane

trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane (PubChem CID 142736692) has the molecular formula C20H40Cl6O3Si2 and a molecular weight of 597.43 g/mol. Its IUPAC name is trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane.

Molecular Properties

Compound Nametrichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane
PubChem CID142736692
Molecular FormulaC20H40Cl6O3Si2
Molecular Weight597.43 g/mol
Exact Mass594.06
IUPAC Nametrichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane
SMILESCOCCOCCCCCCOCCCCCCCCCC(C[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C20H40Cl6O3Si2/c1-27-17-18-29-16-12-8-7-11-15-28-14-10-6-4-2-3-5-9-13-20(31(24,25)26)19-30(21,22)23/h20H,2-19H2,1H3
InChIKeyQKIMJHHLZLFJNG-UHFFFAOYSA-N
XLogP9.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.43
LogP ≤ 59.03
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

trichloro-[11-[4-(2-methoxyethoxy)butoxy]undecyl]silane
CID 142736707
1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
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
trimethoxy-[11-(2-methoxyethoxy)undecyl]silane
CID 88574364
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387

Frequently Asked Questions

What is the IUPAC name of trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane?
The IUPAC name of trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane (CID 142736692) is trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane.
What is the SMILES notation for trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane?
The canonical SMILES for trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane is COCCOCCCCCCOCCCCCCCCCC(C[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane?
The InChIKey is QKIMJHHLZLFJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40Cl6O3Si2/c1-27-17-18-29-16-12-8-7-11-15-28-14-10-6-4-2-3-5-9-13-20(31(24,25)26)19-30(21,22)23/h20H,2-19H2,1H3.
What are the key properties of trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane?
trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane has a molecular weight of 597.43 g/mol, XLogP of 9.03, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[11-[6-(2-methoxyethoxy)hexoxy]-1-trichlorosilylundecan-2-yl]silane is sourced from PubChem (CID 142736692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).