[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate

C28H64O5Si4 — CID 162017520

IUPAC[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C28H64O5Si4/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(29)30-27-37(10,32-35(5,6)7)33-36(8,9)31-34(2,3)4/h11-27H2,1-10H3
InChIKeyLYXJBJCAAFQGNX-UHFFFAOYSA-N
MW593.16 g/mol
LogP9.82
Rot. Bonds24

About [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate

[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate (PubChem CID 162017520) has the molecular formula C28H64O5Si4 and a molecular weight of 593.16 g/mol. Its IUPAC name is [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate.

Molecular Properties

Compound Name[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate
PubChem CID162017520
Molecular FormulaC28H64O5Si4
Molecular Weight593.16 g/mol
Exact Mass592.38
IUPAC Name[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C28H64O5Si4/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(29)30-27-37(10,32-35(5,6)7)33-36(8,9)31-34(2,3)4/h11-27H2,1-10H3
InChIKeyLYXJBJCAAFQGNX-UHFFFAOYSA-N
XLogP9.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.16
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

trichlorosilylmethyl decanoate
CID 140752978
trimethylsilyl icosanoate
CID 521648
(1,1,2,2-tetradeuterio-2-dodecanoyloxyethyl) dodecanoate
CID 169440171
pentakis(ethyl octanoate);hexane
CID 173194775
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
2-henicosanoyloxyethyl henicosanoate
CID 54483902
ethyl undecanoate
CID 12327
(2,2-dimethyl-3-octanoyloxypropyl) dodecanoate
CID 177419977
(2,2-dimethyl-3-nonanoyloxypropyl) decanoate
CID 123293931
[3-henicosanoyloxy-2,2-bis(henicosanoyloxymethyl)propyl] henicosanoate
CID 87609533

Frequently Asked Questions

What is the IUPAC name of [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate?
The IUPAC name of [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate (CID 162017520) is [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate.
What is the SMILES notation for [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate?
The canonical SMILES for [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate?
The InChIKey is LYXJBJCAAFQGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H64O5Si4/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(29)30-27-37(10,32-35(5,6)7)33-36(8,9)31-34(2,3)4/h11-27H2,1-10H3.
What are the key properties of [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate?
[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate has a molecular weight of 593.16 g/mol, XLogP of 9.82, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl octadecanoate is sourced from PubChem (CID 162017520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).