[[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate

C20H42O7Si2 — CID 58715872

IUPAC[[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate
SMILESCOCCCCCC(=O)OC[Si](C)(C)O[Si](C)(C)COC(=O)CCCCCOC
InChIInChI=1S/C20H42O7Si2/c1-23-15-11-7-9-13-19(21)25-17-28(3,4)27-29(5,6)18-26-20(22)14-10-8-12-16-24-2/h7-18H2,1-6H3
InChIKeyBKXAUVVVCAISOH-UHFFFAOYSA-N
MW450.72 g/mol
LogP3.99
Rot. Bonds18

About [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate

[[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate (PubChem CID 58715872) has the molecular formula C20H42O7Si2 and a molecular weight of 450.72 g/mol. Its IUPAC name is [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate.

Molecular Properties

Compound Name[[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate
PubChem CID58715872
Molecular FormulaC20H42O7Si2
Molecular Weight450.72 g/mol
Exact Mass450.25
IUPAC Name[[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate
SMILESCOCCCCCC(=O)OC[Si](C)(C)O[Si](C)(C)COC(=O)CCCCCOC
InChIInChI=1S/C20H42O7Si2/c1-23-15-11-7-9-13-19(21)25-17-28(3,4)27-29(5,6)18-26-20(22)14-10-8-12-16-24-2/h7-18H2,1-6H3
InChIKeyBKXAUVVVCAISOH-UHFFFAOYSA-N
XLogP3.99
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.72
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Bis(trimethylsilyl) adipate
CID 87457
Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
CID 156594837
CID 156594837
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
1,3-Bis(10-carbomethoxydecyl)tetramethyldisiloxane
CID 22278210
Hexanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528567
Methyl 9,10,18-tris[(trimethylsilyl)oxy]octadecanoate
CID 553634
Hexadecanoic acid, 10,16-bis(trimethylsiloxy)-, methyl ester
CID 553681
Methyl 22-[(trimethylsilyl)oxy]docosanoate
CID 554384
16-hydroxyhexadecanoic acid, TMSi ester TMSi ether
CID 13295625

Frequently Asked Questions

What is the IUPAC name of [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate?
The IUPAC name of [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate (CID 58715872) is [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate.
What is the SMILES notation for [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate?
The canonical SMILES for [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate is COCCCCCC(=O)OC[Si](C)(C)O[Si](C)(C)COC(=O)CCCCCOC.
What is the InChIKey of [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate?
The InChIKey is BKXAUVVVCAISOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O7Si2/c1-23-15-11-7-9-13-19(21)25-17-28(3,4)27-29(5,6)18-26-20(22)14-10-8-12-16-24-2/h7-18H2,1-6H3.
What are the key properties of [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate?
[[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate has a molecular weight of 450.72 g/mol, XLogP of 3.99, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate is sourced from PubChem (CID 58715872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).