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

C46H116O16Si12 — CID 91404466

IUPACethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate)
SMILESC=C.C=C.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.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
InChIInChI=1S/2C21H54O8Si6.2C2H4/c2*1-15-16-17-18-24-20-35(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;2*1-2/h2*15-20H2,1-14H3;2*1-2H2
InChIKeyWPLZAKAXQGGULZ-UHFFFAOYSA-N
MW1262.45 g/mol
LogP14.02
Rot. Bonds36

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

ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate) (PubChem CID 91404466) has the molecular formula C46H116O16Si12 and a molecular weight of 1262.45 g/mol. Its IUPAC name is ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate).

Molecular Properties

Compound Nameethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate)
PubChem CID91404466
Molecular FormulaC46H116O16Si12
Molecular Weight1262.45 g/mol
Exact Mass1260.55
IUPAC Nameethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate)
SMILESC=C.C=C.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.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
InChIInChI=1S/2C21H54O8Si6.2C2H4/c2*1-15-16-17-18-24-20-35(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;2*1-2/h2*15-20H2,1-14H3;2*1-2H2
InChIKeyWPLZAKAXQGGULZ-UHFFFAOYSA-N
XLogP14.02
TPSA163.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001262.45
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate)?
The IUPAC name of ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate) (CID 91404466) is ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate).
What is the SMILES notation for ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate)?
The canonical SMILES for ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate) is C=C.C=C.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.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 ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate)?
The InChIKey is WPLZAKAXQGGULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H54O8Si6.2C2H4/c2*1-15-16-17-18-24-20-35(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;2*1-2/h2*15-20H2,1-14H3;2*1-2H2.
What are the key properties of ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate)?
ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate) has a molecular weight of 1262.45 g/mol, XLogP of 14.02, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;bis(methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(pentoxymethyl)silyl]oxy-methylsilyl]acetate) is sourced from PubChem (CID 91404466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).