methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate

C20H44O5Si3 — CID 158682766

IUPACmethyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate
SMILESCOC(=O)CCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCCC(C)=O
InChIInChI=1S/C20H44O5Si3/c1-19(21)15-11-9-13-17-26(3,4)24-28(7,8)25-27(5,6)18-14-10-12-16-20(22)23-2/h9-18H2,1-8H3
InChIKeyZVQCYPFXUVFLMP-UHFFFAOYSA-N
MW448.83 g/mol
LogP6.01
Rot. Bonds16

About methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate

methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate (PubChem CID 158682766) has the molecular formula C20H44O5Si3 and a molecular weight of 448.83 g/mol. Its IUPAC name is methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate
PubChem CID158682766
Molecular FormulaC20H44O5Si3
Molecular Weight448.83 g/mol
Exact Mass448.25
IUPAC Namemethyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate
SMILESCOC(=O)CCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCCC(C)=O
InChIInChI=1S/C20H44O5Si3/c1-19(21)15-11-9-13-17-26(3,4)24-28(7,8)25-27(5,6)18-14-10-12-16-20(22)23-2/h9-18H2,1-8H3
InChIKeyZVQCYPFXUVFLMP-UHFFFAOYSA-N
XLogP6.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.83
LogP ≤ 56.01
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'}

Analyze methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate with MolForge

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Related Compounds

1,3-Bis(10-carbomethoxydecyl)tetramethyldisiloxane
CID 22278210
Hexanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528567
Bis[tert-butyl(dimethyl)silyl] pimelate
CID 552524
Hexadecanoic acid, 10,16-bis(trimethylsiloxy)-, methyl ester
CID 553681
Methyl tri(trimethylsiloxy)octadecanoate
CID 129725017
3-[Methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate
CID 135061497
[Hexanoyloxy(dipropyl)silyl] hexanoate
CID 170847861
[Diethyl(hexanoyloxy)silyl] hexanoate
CID 170847862
[Hexanoyloxy-di(propan-2-yl)silyl] hexanoate
CID 170849779
16-hydroxy-10-oxohexadecanoic acid, methyl ester TMSi ether
CID 91750153
16-hydroxy-10-oxohexadecanoic acid, TMSi ester TMSi ether
CID 91750154
Octadecanedioic acid, methyl (trimethylsilyl) ester
CID 552377

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate?
The IUPAC name of methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate (CID 158682766) is methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate.
What is the SMILES notation for methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate?
The canonical SMILES for methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate is COC(=O)CCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCCC(C)=O.
What is the InChIKey of methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate?
The InChIKey is ZVQCYPFXUVFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O5Si3/c1-19(21)15-11-9-13-17-26(3,4)24-28(7,8)25-27(5,6)18-14-10-12-16-20(22)23-2/h9-18H2,1-8H3.
What are the key properties of methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate?
methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate has a molecular weight of 448.83 g/mol, XLogP of 6.01, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate is sourced from PubChem (CID 158682766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).