tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde

C47H112O34Si9 — CID 159941931

IUPACtris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde
SMILESCCOCO.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.O=CC=O.O=CC=O.O=CC=O.O=CC=O
InChIInChI=1S/3C12H32O8Si3.C3H8O2.4C2H2O2/c3*1-7-16-10-17-8-12(13)9-18-11-23(14,15)20-22(5,6)19-21(2,3)4;1-2-5-3-4;4*3-1-2-4/h3*12-15H,7-11H2,1-6H3;4H,2-3H2,1H3;4*1-2H
InChIKeyOAZJYQZJJBYQPX-UHFFFAOYSA-N
MW1474.15 g/mol
LogP-1.27
Rot. Bonds45

About tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde

tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde (PubChem CID 159941931) has the molecular formula C47H112O34Si9 and a molecular weight of 1474.15 g/mol. Its IUPAC name is tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde.

Molecular Properties

Compound Nametris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde
PubChem CID159941931
Molecular FormulaC47H112O34Si9
Molecular Weight1474.15 g/mol
Exact Mass1472.50
IUPAC Nametris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde
SMILESCCOCO.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.O=CC=O.O=CC=O.O=CC=O.O=CC=O
InChIInChI=1S/3C12H32O8Si3.C3H8O2.4C2H2O2/c3*1-7-16-10-17-8-12(13)9-18-11-23(14,15)20-22(5,6)19-21(2,3)4;1-2-5-3-4;4*3-1-2-4/h3*12-15H,7-11H2,1-6H3;4H,2-3H2,1H3;4*1-2H
InChIKeyOAZJYQZJJBYQPX-UHFFFAOYSA-N
XLogP-1.27
TPSA486.54 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001474.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol;ethoxymethanol
CID 91232678
1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde
CID 123589036
1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol
CID 170542201
ethoxymethyl-[[[ethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane;hydroxy-[hydroxy(dimethyl)silyl]oxy-dimethylsilane;bis(propane-1,2-diol)
CID 54392846
butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilane;1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol
CID 91532506
diethyl-[2-hydroxy-3-[[methyl-bis(trimethylsilyloxy)silyl]methoxy]propyl]-methylazanium
CID 174243559
[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate
CID 165092067
[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane
CID 8852
1-(3-bromo-2-hydroxypropoxy)-3-ethoxypropan-2-ol
CID 148545337
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806

Frequently Asked Questions

What is the IUPAC name of tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde?
The IUPAC name of tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde (CID 159941931) is tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde.
What is the SMILES notation for tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde?
The canonical SMILES for tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde is CCOCO.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.CCOCOCC(O)COC[Si](O)(O)O[Si](C)(C)O[Si](C)(C)C.O=CC=O.O=CC=O.O=CC=O.O=CC=O.
What is the InChIKey of tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde?
The InChIKey is OAZJYQZJJBYQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H32O8Si3.C3H8O2.4C2H2O2/c3*1-7-16-10-17-8-12(13)9-18-11-23(14,15)20-22(5,6)19-21(2,3)4;1-2-5-3-4;4*3-1-2-4/h3*12-15H,7-11H2,1-6H3;4H,2-3H2,1H3;4*1-2H.
What are the key properties of tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde?
tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde has a molecular weight of 1474.15 g/mol, XLogP of -1.27, 45 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dihydroxysilyl]methoxy]-3-(ethoxymethoxy)propan-2-ol);ethoxymethanol;oxaldehyde is sourced from PubChem (CID 159941931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).