bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate

C50H108N2O10SSi2 — CID 140926605

IUPACbis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate
SMILESCCCCCCCCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCCC1.CCCCCCCCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCCC1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C25H54NO3Si.H2O4S/c2*1-5-9-10-11-12-13-14-15-16-18-21-26(22-19-17-20-23-26)24-25-30(27-6-2,28-7-3)29-8-4;1-5(2,3)4/h2*5-25H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyFPEBPWCDLVVDED-UHFFFAOYSA-L
MW985.66 g/mol
LogP12.57
Rot. Bonds40

About bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate

bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate (PubChem CID 140926605) has the molecular formula C50H108N2O10SSi2 and a molecular weight of 985.66 g/mol. Its IUPAC name is bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate.

Molecular Properties

Compound Namebis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate
PubChem CID140926605
Molecular FormulaC50H108N2O10SSi2
Molecular Weight985.66 g/mol
Exact Mass984.73
IUPAC Namebis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate
SMILESCCCCCCCCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCCC1.CCCCCCCCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCCC1.O=S(=O)([O-])[O-]
InChIInChI=1S/2C25H54NO3Si.H2O4S/c2*1-5-9-10-11-12-13-14-15-16-18-21-26(22-19-17-20-23-26)24-25-30(27-6-2,28-7-3)29-8-4;1-5(2,3)4/h2*5-25H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyFPEBPWCDLVVDED-UHFFFAOYSA-L
XLogP12.57
TPSA135.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds40
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.66
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethoxy-[2-(1-hexylpyrrolidin-1-ium-1-yl)ethyl]silane
CID 140926591
1-dodecyl-1-propylpiperidin-1-ium;methanesulfonate
CID 171570745
1-butyl-1-pentylpiperidin-1-ium;methanesulfonate
CID 171571230
1-dodecyl-1-octylpiperidin-1-ium
CID 172831286
1,1-dioctylpiperidin-1-ium
CID 23148538
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-dodecyl-1-[6-(1-dodecylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 102527529
1-butyl-1-pentylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615902

Frequently Asked Questions

What is the IUPAC name of bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate?
The IUPAC name of bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate (CID 140926605) is bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate.
What is the SMILES notation for bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate?
The canonical SMILES for bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate is CCCCCCCCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCCC1.CCCCCCCCCCCC[N+]1(CC[Si](OCC)(OCC)OCC)CCCCC1.O=S(=O)([O-])[O-].
What is the InChIKey of bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate?
The InChIKey is FPEBPWCDLVVDED-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H54NO3Si.H2O4S/c2*1-5-9-10-11-12-13-14-15-16-18-21-26(22-19-17-20-23-26)24-25-30(27-6-2,28-7-3)29-8-4;1-5(2,3)4/h2*5-25H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate?
bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate has a molecular weight of 985.66 g/mol, XLogP of 12.57, 40 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(1-dodecylpiperidin-1-ium-1-yl)ethyl-triethoxysilane);sulfate is sourced from PubChem (CID 140926605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).