bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride

C14H38Cl18N4Si8 — CID 139137630

IUPACbis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride
SMILESCN(C)CC[N+](C)(C)C.CN(C)CC[N+](C)(C)C.Cl[Si](Cl)(Cl)[Si]1([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl.[Cl-].[Cl-]
InChIInChI=1S/2C7H19N2.Cl16Si8.2ClH/c2*1-8(2)6-7-9(3,4)5;1-17(2,3)24(18(4,5)6)22(13,14)20(9,10)19(7,8)21(11,12)23(24,15)16;;/h2*6-7H2,1-5H3;;2*1H/q2*+1;;;/p-2
InChIKeyGNUMHSHVTPOFBB-UHFFFAOYSA-L
MW1125.33 g/mol
LogP2.50
Rot. Bonds8

About bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride

bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride (PubChem CID 139137630) has the molecular formula C14H38Cl18N4Si8 and a molecular weight of 1125.33 g/mol. Its IUPAC name is bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride.

Molecular Properties

Compound Namebis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride
PubChem CID139137630
Molecular FormulaC14H38Cl18N4Si8
Molecular Weight1125.33 g/mol
Exact Mass1115.56
IUPAC Namebis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride
SMILESCN(C)CC[N+](C)(C)C.CN(C)CC[N+](C)(C)C.Cl[Si](Cl)(Cl)[Si]1([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl.[Cl-].[Cl-]
InChIInChI=1S/2C7H19N2.Cl16Si8.2ClH/c2*1-8(2)6-7-9(3,4)5;1-17(2,3)24(18(4,5)6)22(13,14)20(9,10)19(7,8)21(11,12)23(24,15)16;;/h2*6-7H2,1-5H3;;2*1H/q2*+1;;;/p-2
InChIKeyGNUMHSHVTPOFBB-UHFFFAOYSA-L
XLogP2.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001125.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride?
The IUPAC name of bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride (CID 139137630) is bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride.
What is the SMILES notation for bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride?
The canonical SMILES for bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride is CN(C)CC[N+](C)(C)C.CN(C)CC[N+](C)(C)C.Cl[Si](Cl)(Cl)[Si]1([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si]1(Cl)Cl.[Cl-].[Cl-].
What is the InChIKey of bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride?
The InChIKey is GNUMHSHVTPOFBB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H19N2.Cl16Si8.2ClH/c2*1-8(2)6-7-9(3,4)5;1-17(2,3)24(18(4,5)6)22(13,14)20(9,10)19(7,8)21(11,12)23(24,15)16;;/h2*6-7H2,1-5H3;;2*1H/q2*+1;;;/p-2.
What are the key properties of bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride?
bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride has a molecular weight of 1125.33 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(dimethylamino)ethyl-trimethylazanium);trichloro-(2,2,3,3,4,4,5,5,6,6-decachloro-1-trichlorosilylhexasilinan-1-yl)silane;dichloride is sourced from PubChem (CID 139137630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).