1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine

C39H90N2O12Si4 — CID 140847718

IUPAC1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
SMILESCCO[Si](CCCC(N)(CCC[Si](OCC)(OCC)OCC)CC(N)(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C39H90N2O12Si4/c1-13-42-54(43-14-2,44-15-3)33-25-29-38(40,30-26-34-55(45-16-4,46-17-5)47-18-6)37-39(41,31-27-35-56(48-19-7,49-20-8)50-21-9)32-28-36-57(51-22-10,52-23-11)53-24-12/h13-37,40-41H2,1-12H3
InChIKeyQJFUXEHKAMSYHU-UHFFFAOYSA-N
MW891.49 g/mol
LogP8.09
Rot. Bonds42

About 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine

1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine (PubChem CID 140847718) has the molecular formula C39H90N2O12Si4 and a molecular weight of 891.49 g/mol. Its IUPAC name is 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine.

Molecular Properties

Compound Name1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
PubChem CID140847718
Molecular FormulaC39H90N2O12Si4
Molecular Weight891.49 g/mol
Exact Mass890.56
IUPAC Name1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
SMILESCCO[Si](CCCC(N)(CCC[Si](OCC)(OCC)OCC)CC(N)(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C39H90N2O12Si4/c1-13-42-54(43-14-2,44-15-3)33-25-29-38(40,30-26-34-55(45-16-4,46-17-5)47-18-6)37-39(41,31-27-35-56(48-19-7,49-20-8)50-21-9)32-28-36-57(51-22-10,52-23-11)53-24-12/h13-37,40-41H2,1-12H3
InChIKeyQJFUXEHKAMSYHU-UHFFFAOYSA-N
XLogP8.09
TPSA162.80 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds42
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.49
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
5-[ethoxy(dimethyl)silyl]-2-[3-[ethoxy(dimethyl)silyl]propyl]pentane-1,2-diamine
CID 21285290
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine
CID 172719348
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
CID 87669047
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
triethoxy(18,18,18-tribromooctadecyl)silane
CID 140708887
(2-methyl-5-triethoxysilylpentan-2-yl)urea
CID 87282445
[4,4-bis(dimethoxyphosphoryl)-7-triethoxysilylheptyl]-triethoxysilane
CID 89468719
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine?
The IUPAC name of 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine (CID 140847718) is 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine.
What is the SMILES notation for 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine?
The canonical SMILES for 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine is CCO[Si](CCCC(N)(CCC[Si](OCC)(OCC)OCC)CC(N)(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine?
The InChIKey is QJFUXEHKAMSYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H90N2O12Si4/c1-13-42-54(43-14-2,44-15-3)33-25-29-38(40,30-26-34-55(45-16-4,46-17-5)47-18-6)37-39(41,31-27-35-56(48-19-7,49-20-8)50-21-9)32-28-36-57(51-22-10,52-23-11)53-24-12/h13-37,40-41H2,1-12H3.
What are the key properties of 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine?
1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine has a molecular weight of 891.49 g/mol, XLogP of 8.09, 42 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine is sourced from PubChem (CID 140847718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).