methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid

C26H61NO14Si4 — CID 87910071

IUPACmethyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid
SMILESCCO[Si](OCC)(OCC)O[Si](CCCCCCN(C)C(=O)O)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C26H61NO14Si4/c1-11-30-43(31-12-2,32-13-3)39-42(25-23-21-20-22-24-27(10)26(28)29,40-44(33-14-4,34-15-5)35-16-6)41-45(36-17-7,37-18-8)38-19-9/h11-25H2,1-10H3,(H,28,29)
InChIKeyOVWPLOSYAWGDKF-UHFFFAOYSA-N
MW724.11 g/mol
LogP4.78
Rot. Bonds31

About methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid

methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid (PubChem CID 87910071) has the molecular formula C26H61NO14Si4 and a molecular weight of 724.11 g/mol. Its IUPAC name is methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid
PubChem CID87910071
Molecular FormulaC26H61NO14Si4
Molecular Weight724.11 g/mol
Exact Mass723.32
IUPAC Namemethyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid
SMILESCCO[Si](OCC)(OCC)O[Si](CCCCCCN(C)C(=O)O)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC
InChIInChI=1S/C26H61NO14Si4/c1-11-30-43(31-12-2,32-13-3)39-42(25-23-21-20-22-24-27(10)26(28)29,40-44(33-14-4,34-15-5)35-16-6)41-45(36-17-7,37-18-8)38-19-9/h11-25H2,1-10H3,(H,28,29)
InChIKeyOVWPLOSYAWGDKF-UHFFFAOYSA-N
XLogP4.78
TPSA151.30 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.11
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
ethyl(5-triethoxysilylpentyl)carbamic acid
CID 87909995
hexadecyl(methyl)carbamic acid
CID 15173799
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824

Frequently Asked Questions

What is the IUPAC name of methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid?
The IUPAC name of methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid (CID 87910071) is methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid.
What is the SMILES notation for methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid?
The canonical SMILES for methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid is CCO[Si](OCC)(OCC)O[Si](CCCCCCN(C)C(=O)O)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC.
What is the InChIKey of methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid?
The InChIKey is OVWPLOSYAWGDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H61NO14Si4/c1-11-30-43(31-12-2,32-13-3)39-42(25-23-21-20-22-24-27(10)26(28)29,40-44(33-14-4,34-15-5)35-16-6)41-45(36-17-7,37-18-8)38-19-9/h11-25H2,1-10H3,(H,28,29).
What are the key properties of methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid?
methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid has a molecular weight of 724.11 g/mol, XLogP of 4.78, 31 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid is sourced from PubChem (CID 87910071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).