triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane

C20H43NO8Si2 — CID 59936782

IUPACtriethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
SMILESCCO[Si](CCCOCC1CN2CC(C)O[Si](OCC)(OC(C)C2)O1)(OCC)OCC
InChIInChI=1S/C20H43NO8Si2/c1-7-23-30(24-8-2,25-9-3)13-11-12-22-17-20-16-21-14-18(5)27-31(29-20,26-10-4)28-19(6)15-21/h18-20H,7-17H2,1-6H3
InChIKeyDSMKHYKTOFWALS-UHFFFAOYSA-N
MW481.74 g/mol
LogP2.44
Rot. Bonds14

About triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane

triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane (PubChem CID 59936782) has the molecular formula C20H43NO8Si2 and a molecular weight of 481.74 g/mol. Its IUPAC name is triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
PubChem CID59936782
Molecular FormulaC20H43NO8Si2
Molecular Weight481.74 g/mol
Exact Mass481.25
IUPAC Nametriethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
SMILESCCO[Si](CCCOCC1CN2CC(C)O[Si](OCC)(OC(C)C2)O1)(OCC)OCC
InChIInChI=1S/C20H43NO8Si2/c1-7-23-30(24-8-2,25-9-3)13-11-12-22-17-20-16-21-14-18(5)27-31(29-20,26-10-4)28-19(6)15-21/h18-20H,7-17H2,1-6H3
InChIKeyDSMKHYKTOFWALS-UHFFFAOYSA-N
XLogP2.44
TPSA77.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.74
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane 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

trimethoxy-[3-[(1-methoxy-7-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane
CID 18730818
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
3,7,10-trimethyl-1-(oxiran-2-ylmethoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CID 176899824
[6-[2-[[2,2-diethoxy-4-(triethoxysilylmethyl)-1,4,2-oxazasilinan-6-yl]methoxy]ethoxymethyl]-2,2-diethoxy-1,4,2-oxazasilinan-4-yl]methyl-triethoxysilane
CID 177302447
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane
CID 18730823
triethoxy-[3-(oxetan-3-ylmethoxy)propyl]silane
CID 11346874
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane
CID 90110573
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane?
The IUPAC name of triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane (CID 59936782) is triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane.
What is the SMILES notation for triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane?
The canonical SMILES for triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane is CCO[Si](CCCOCC1CN2CC(C)O[Si](OCC)(OC(C)C2)O1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane?
The InChIKey is DSMKHYKTOFWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO8Si2/c1-7-23-30(24-8-2,25-9-3)13-11-12-22-17-20-16-21-14-18(5)27-31(29-20,26-10-4)28-19(6)15-21/h18-20H,7-17H2,1-6H3.
What are the key properties of triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane?
triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane has a molecular weight of 481.74 g/mol, XLogP of 2.44, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[(1-ethoxy-7,10-dimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl)methoxy]propyl]silane is sourced from PubChem (CID 59936782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).