1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol

C26H62O10Si4 — CID 59187884

IUPAC1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol
SMILESCCC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)(COCC(O)COC)COCC(O)COC
InChIInChI=1S/C26H62O10Si4/c1-13-26(22-32-19-24(27)17-29-2,23-33-20-25(28)18-30-3)21-31-15-14-16-40(12,35-38(7,8)9)36-39(10,11)34-37(4,5)6/h24-25,27-28H,13-23H2,1-12H3
InChIKeyAZGUFVGSCAXEJH-UHFFFAOYSA-N
MW647.12 g/mol
LogP4.33
Rot. Bonds25

About 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol

1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol (PubChem CID 59187884) has the molecular formula C26H62O10Si4 and a molecular weight of 647.12 g/mol. Its IUPAC name is 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol
PubChem CID59187884
Molecular FormulaC26H62O10Si4
Molecular Weight647.12 g/mol
Exact Mass646.34
IUPAC Name1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol
SMILESCCC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)(COCC(O)COC)COCC(O)COC
InChIInChI=1S/C26H62O10Si4/c1-13-26(22-32-19-24(27)17-29-2,23-33-20-25(28)18-30-3)21-31-15-14-16-40(12,35-38(7,8)9)36-39(10,11)34-37(4,5)6/h24-25,27-28H,13-23H2,1-12H3
InChIKeyAZGUFVGSCAXEJH-UHFFFAOYSA-N
XLogP4.33
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.12
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol (CID 59187884) is 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol is CCC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)(COCC(O)COC)COCC(O)COC.
What is the InChIKey of 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol?
The InChIKey is AZGUFVGSCAXEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H62O10Si4/c1-13-26(22-32-19-24(27)17-29-2,23-33-20-25(28)18-30-3)21-31-15-14-16-40(12,35-38(7,8)9)36-39(10,11)34-37(4,5)6/h24-25,27-28H,13-23H2,1-12H3.
What are the key properties of 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol?
1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol has a molecular weight of 647.12 g/mol, XLogP of 4.33, 25 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propoxymethyl]-2-[(2-hydroxy-3-methoxypropoxy)methyl]butoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 59187884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).