N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide

C32H73NO13Si4 — CID 161095744

IUPACN-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide
SMILESCO[Si](CCCCC(=O)N(C)CC(CCCC[Si](OC)(OC)OC)(CCCC[Si](OC)(OC)OC)CCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C32H73NO13Si4/c1-33(31(34)22-14-18-26-47(35-2,36-3)37-4)30-32(23-15-19-27-48(38-5,39-6)40-7,24-16-20-28-49(41-8,42-9)43-10)25-17-21-29-50(44-11,45-12)46-13/h14-30H2,1-13H3
InChIKeyPORRKCBPICISLK-UHFFFAOYSA-N
MW792.27 g/mol
LogP5.62
Rot. Bonds34

About N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide

N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide (PubChem CID 161095744) has the molecular formula C32H73NO13Si4 and a molecular weight of 792.27 g/mol. Its IUPAC name is N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide.

Molecular Properties

Compound NameN-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide
PubChem CID161095744
Molecular FormulaC32H73NO13Si4
Molecular Weight792.27 g/mol
Exact Mass791.42
IUPAC NameN-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide
SMILESCO[Si](CCCCC(=O)N(C)CC(CCCC[Si](OC)(OC)OC)(CCCC[Si](OC)(OC)OC)CCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C32H73NO13Si4/c1-33(31(34)22-14-18-26-47(35-2,36-3)37-4)30-32(23-15-19-27-48(38-5,39-6)40-7,24-16-20-28-49(41-8,42-9)43-10)25-17-21-29-50(44-11,45-12)46-13/h14-30H2,1-13H3
InChIKeyPORRKCBPICISLK-UHFFFAOYSA-N
XLogP5.62
TPSA131.07 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500792.27
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide with MolForge

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Related Compounds

N-methyl-6-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]-2-(4-trimethoxysilylbutyl)hexanamide
CID 158282154
10-trimethoxysilyldecanethioic S-acid
CID 87672120
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
N-methanidyl-4-trimethoxysilyl-N-(4-trimethoxysilylbutyl)butanamide;rutherfordium
CID 162463989
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
CID 141245028
8-[diethoxy(methoxy)silyl]octan-4-one
CID 162505528
7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
CID 160918976
2-methyl-12-trimethoxysilyldodec-1-en-3-one
CID 176884271
5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 79199158
N-ethyl-5-trimethoxysilylpentanamide;rutherfordium
CID 162463980

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide?
The IUPAC name of N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide (CID 161095744) is N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide.
What is the SMILES notation for N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide?
The canonical SMILES for N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide is CO[Si](CCCCC(=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-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide?
The InChIKey is PORRKCBPICISLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H73NO13Si4/c1-33(31(34)22-14-18-26-47(35-2,36-3)37-4)30-32(23-15-19-27-48(38-5,39-6)40-7,24-16-20-28-49(41-8,42-9)43-10)25-17-21-29-50(44-11,45-12)46-13/h14-30H2,1-13H3.
What are the key properties of N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide?
N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide has a molecular weight of 792.27 g/mol, XLogP of 5.62, 34 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide is sourced from PubChem (CID 161095744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).