methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate

C21H54O8Si6 — CID 21334726

IUPACmethyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate
SMILESCCCCCOC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CC(=O)OC)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C21H54O8Si6/c1-15-16-17-18-24-20-35(14,28-33(11,12)26-31(6,7)8)29-34(13,19-21(22)23-2)27-32(9,10)25-30(3,4)5/h15-20H2,1-14H3
InChIKeyZRPQIRCENYQLTN-UHFFFAOYSA-N
MW603.17 g/mol
LogP6.21
Rot. Bonds18

About methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate

methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate (PubChem CID 21334726) has the molecular formula C21H54O8Si6 and a molecular weight of 603.17 g/mol. Its IUPAC name is methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate
PubChem CID21334726
Molecular FormulaC21H54O8Si6
Molecular Weight603.17 g/mol
Exact Mass602.24
IUPAC Namemethyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate
SMILESCCCCCOC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CC(=O)OC)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C21H54O8Si6/c1-15-16-17-18-24-20-35(14,28-33(11,12)26-31(6,7)8)29-34(13,19-21(22)23-2)27-32(9,10)25-30(3,4)5/h15-20H2,1-14H3
InChIKeyZRPQIRCENYQLTN-UHFFFAOYSA-N
XLogP6.21
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.17
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate with MolForge

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Related Compounds

Ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
CID 135063543
1,3-Bis-(4-acetoxy-butyl)-1,1,3,3-tetramethyl-disiloxane
CID 12487669
Ethyl 4-[[(4-ethoxy-4-oxobutyl)-dimethylsilyl]oxy-dimethylsilyl]butanoate
CID 12464091
4-[Methyl-bis(trimethylsilyloxy)silyl]butyl acetate
CID 18469586
Methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate
CID 18739351
3-[4,6,8-Tris(3-acetyloxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl acetate
CID 19856289
2-[4-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]butoxy]ethyl acetate
CID 20617076
Methyl 5-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate
CID 58637935
CID 59938636
CID 59938636
5-Triethoxysilylpentanoyl 5-triethoxysilylpentanoate
CID 87514659
2-Tripentoxysilylethyl acetate
CID 88637772
1-Tripentoxysilylethyl acetate
CID 88637773

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate?
The IUPAC name of methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate (CID 21334726) is methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate.
What is the SMILES notation for methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate?
The canonical SMILES for methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate is CCCCCOC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CC(=O)OC)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate?
The InChIKey is ZRPQIRCENYQLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54O8Si6/c1-15-16-17-18-24-20-35(14,28-33(11,12)26-31(6,7)8)29-34(13,19-21(22)23-2)27-32(9,10)25-30(3,4)5/h15-20H2,1-14H3.
What are the key properties of methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate?
methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate has a molecular weight of 603.17 g/mol, XLogP of 6.21, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate is sourced from PubChem (CID 21334726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).