N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine

C36H80N2O12Si2 — CID 142729340

IUPACN',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine
SMILESCOCCO[Si](CCCCCCN(CCCCCCN)CCCCCC[Si](OCCOC)(OCCOC)OCCOC)(OCCOC)OCCOC
InChIInChI=1S/C36H80N2O12Si2/c1-39-23-29-45-51(46-30-24-40-2,47-31-25-41-3)35-17-11-9-15-21-38(20-14-8-7-13-19-37)22-16-10-12-18-36-52(48-32-26-42-4,49-33-27-43-5)50-34-28-44-6/h7-37H2,1-6H3
InChIKeyLSRYCZPFHXYCAU-UHFFFAOYSA-N
MW789.21 g/mol
LogP4.78
Rot. Bonds44

About N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine

N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine (PubChem CID 142729340) has the molecular formula C36H80N2O12Si2 and a molecular weight of 789.21 g/mol. Its IUPAC name is N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine
PubChem CID142729340
Molecular FormulaC36H80N2O12Si2
Molecular Weight789.21 g/mol
Exact Mass788.52
IUPAC NameN',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine
SMILESCOCCO[Si](CCCCCCN(CCCCCCN)CCCCCC[Si](OCCOC)(OCCOC)OCCOC)(OCCOC)OCCOC
InChIInChI=1S/C36H80N2O12Si2/c1-39-23-29-45-51(46-30-24-40-2,47-31-25-41-3)35-17-11-9-15-21-38(20-14-8-7-13-19-37)22-16-10-12-18-36-52(48-32-26-42-4,49-33-27-43-5)50-34-28-44-6/h7-37H2,1-6H3
InChIKeyLSRYCZPFHXYCAU-UHFFFAOYSA-N
XLogP4.78
TPSA140.02 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds44
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine?
The IUPAC name of N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine (CID 142729340) is N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine.
What is the SMILES notation for N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine?
The canonical SMILES for N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine is COCCO[Si](CCCCCCN(CCCCCCN)CCCCCC[Si](OCCOC)(OCCOC)OCCOC)(OCCOC)OCCOC.
What is the InChIKey of N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine?
The InChIKey is LSRYCZPFHXYCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H80N2O12Si2/c1-39-23-29-45-51(46-30-24-40-2,47-31-25-41-3)35-17-11-9-15-21-38(20-14-8-7-13-19-37)22-16-10-12-18-36-52(48-32-26-42-4,49-33-27-43-5)50-34-28-44-6/h7-37H2,1-6H3.
What are the key properties of N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine?
N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine has a molecular weight of 789.21 g/mol, XLogP of 4.78, 44 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine is sourced from PubChem (CID 142729340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).