[3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate

C33H81NO10Si6 — CID 168853142

IUPAC[3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](OC)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC)O[Si](CCCN)(OC)OC
InChIInChI=1S/C33H81NO10Si6/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-48(13,36-3)43-50(39-6,44-49(37-4,38-5)33-30-31-34)42-47(11,12)41-46(9,10)40-45(7,8)35-2/h14-34H2,1-13H3
InChIKeyBFYKJTWREVUJPH-UHFFFAOYSA-N
MW820.52 g/mol
LogP9.46
Rot. Bonds35

About [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate

[3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate (PubChem CID 168853142) has the molecular formula C33H81NO10Si6 and a molecular weight of 820.52 g/mol. Its IUPAC name is [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate.

Molecular Properties

Compound Name[3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate
PubChem CID168853142
Molecular FormulaC33H81NO10Si6
Molecular Weight820.52 g/mol
Exact Mass819.45
IUPAC Name[3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](OC)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC)O[Si](CCCN)(OC)OC
InChIInChI=1S/C33H81NO10Si6/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-48(13,36-3)43-50(39-6,44-49(37-4,38-5)33-30-31-34)42-47(11,12)41-46(9,10)40-45(7,8)35-2/h14-34H2,1-13H3
InChIKeyBFYKJTWREVUJPH-UHFFFAOYSA-N
XLogP9.46
TPSA118.32 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds35
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500820.52
LogP ≤ 59.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663
hexacosyl(trimethoxy)silane
CID 150262252
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
3-[hexyl(dimethyl)silyl]propan-1-amine
CID 139880015
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
1-chlorodecane;3-trimethoxysilylpropan-1-amine
CID 18362097
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
azane;trimethoxy(pentyl)silane
CID 19608931

Frequently Asked Questions

What is the IUPAC name of [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate?
The IUPAC name of [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate (CID 168853142) is [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate.
What is the SMILES notation for [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate?
The canonical SMILES for [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate is CCCCCCCCCCCCCCCCCC[Si](C)(OC)O[Si](OC)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC)O[Si](CCCN)(OC)OC.
What is the InChIKey of [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate?
The InChIKey is BFYKJTWREVUJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H81NO10Si6/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-48(13,36-3)43-50(39-6,44-49(37-4,38-5)33-30-31-34)42-47(11,12)41-46(9,10)40-45(7,8)35-2/h14-34H2,1-13H3.
What are the key properties of [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate?
[3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate has a molecular weight of 820.52 g/mol, XLogP of 9.46, 35 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3-aminopropyl(dimethoxy)silyl] [[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl] (methoxy-methyl-octadecylsilyl) methyl silicate is sourced from PubChem (CID 168853142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).