N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide

C40H91NO16Si5 — CID 158282154

IUPACN-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide
SMILESCO[Si](CCCCC(CCCC[Si](OC)(OC)OC)C(=O)N(C)CC(CCCC[Si](OC)(OC)OC)(CCCC[Si](OC)(OC)OC)CCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C40H91NO16Si5/c1-41(39(42)38(27-17-22-32-58(43-2,44-3)45-4)28-18-23-33-59(46-5,47-6)48-7)37-40(29-19-24-34-60(49-8,50-9)51-10,30-20-25-35-61(52-11,53-12)54-13)31-21-26-36-62(55-14,56-15)57-16/h38H,17-37H2,1-16H3
InChIKeyGLBBAEVETDWNDH-UHFFFAOYSA-N
MW982.59 g/mol
LogP7.29
Rot. Bonds43

About N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide

N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide (PubChem CID 158282154) has the molecular formula C40H91NO16Si5 and a molecular weight of 982.59 g/mol. Its IUPAC name is N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide.

Molecular Properties

Compound NameN-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide
PubChem CID158282154
Molecular FormulaC40H91NO16Si5
Molecular Weight982.59 g/mol
Exact Mass981.52
IUPAC NameN-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide
SMILESCO[Si](CCCCC(CCCC[Si](OC)(OC)OC)C(=O)N(C)CC(CCCC[Si](OC)(OC)OC)(CCCC[Si](OC)(OC)OC)CCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C40H91NO16Si5/c1-41(39(42)38(27-17-22-32-58(43-2,44-3)45-4)28-18-23-33-59(46-5,47-6)48-7)37-40(29-19-24-34-60(49-8,50-9)51-10,30-20-25-35-61(52-11,53-12)54-13)31-21-26-36-62(55-14,56-15)57-16/h38H,17-37H2,1-16H3
InChIKeyGLBBAEVETDWNDH-UHFFFAOYSA-N
XLogP7.29
TPSA158.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500982.59
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide with MolForge

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Related Compounds

N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide
CID 161095744
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
CID 87595275
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
2-bromo-N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 71445465
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
N-ethyl-N-[3-ethyl-6-trimethoxysilyl-3-(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-methyl-6-trimethoxysilyl-3-(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[7-trimethoxysilyl-3-(4-trimethoxysilylbutyl)heptyl]acetamide;N-ethyl-N-[7-trimethoxysilyl-3-(3-trimethoxysilylpropyl)heptyl]acetamide
CID 160773506
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
CID 141245028
7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
CID 160918976
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
2-hydroxy-N,N-bis(3-trimethoxysilylpropyl)propanamide
CID 140720922
tert-butyl(3-trimethoxysilylpropyl)carbamic acid
CID 23175203

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide?
The IUPAC name of N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide (CID 158282154) is N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide.
What is the SMILES notation for N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide?
The canonical SMILES for N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide is CO[Si](CCCCC(CCCC[Si](OC)(OC)OC)C(=O)N(C)CC(CCCC[Si](OC)(OC)OC)(CCCC[Si](OC)(OC)OC)CCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide?
The InChIKey is GLBBAEVETDWNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H91NO16Si5/c1-41(39(42)38(27-17-22-32-58(43-2,44-3)45-4)28-18-23-33-59(46-5,47-6)48-7)37-40(29-19-24-34-60(49-8,50-9)51-10,30-20-25-35-61(52-11,53-12)54-13)31-21-26-36-62(55-14,56-15)57-16/h38H,17-37H2,1-16H3.
What are the key properties of N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide?
N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide has a molecular weight of 982.59 g/mol, XLogP of 7.29, 43 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide is sourced from PubChem (CID 158282154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).