6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one

C18H40O3Si2 — CID 22339170

IUPAC6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one
SMILESCCCC(=O)C(C)(C)C(CCO[Si](C)(C)CC)O[Si](C)(C)CC
InChIInChI=1S/C18H40O3Si2/c1-10-13-16(19)18(4,5)17(21-23(8,9)12-3)14-15-20-22(6,7)11-2/h17H,10-15H2,1-9H3
InChIKeyMBFPGDYPEOLEGE-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.62
Rot. Bonds12

About 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one

6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one (PubChem CID 22339170) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one.

Molecular Properties

Compound Name6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one
PubChem CID22339170
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one
SMILESCCCC(=O)C(C)(C)C(CCO[Si](C)(C)CC)O[Si](C)(C)CC
InChIInChI=1S/C18H40O3Si2/c1-10-13-16(19)18(4,5)17(21-23(8,9)12-3)14-15-20-22(6,7)11-2/h17H,10-15H2,1-9H3
InChIKeyMBFPGDYPEOLEGE-UHFFFAOYSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-4,4-dimethyl-5,7-bis(trimethylsilyloxy)heptan-3-one
CID 11151311
2,3-dimethyl-3-propoxyheptan-4-one
CID 83225943
2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid
CID 162143782
5-[ethyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol
CID 162424550
(3S)-3-hydroxy-3-methylheptane-2,4-dione
CID 131227261
ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate
CID 101484310
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-yl) butanoate
CID 53438395
2,2,3-trimethyl-3-propan-2-ylheptan-4-one
CID 170848971
4,5,5-trimethylundecan-6-one
CID 173241130
5-methyl-5-propan-2-yloctan-4-one
CID 123521732
dodecan-6-yloxy-ethyl-dimethylsilane
CID 536242

Frequently Asked Questions

What is the IUPAC name of 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one?
The IUPAC name of 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one (CID 22339170) is 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one.
What is the SMILES notation for 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one?
The canonical SMILES for 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one is CCCC(=O)C(C)(C)C(CCO[Si](C)(C)CC)O[Si](C)(C)CC.
What is the InChIKey of 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one?
The InChIKey is MBFPGDYPEOLEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-10-13-16(19)18(4,5)17(21-23(8,9)12-3)14-15-20-22(6,7)11-2/h17H,10-15H2,1-9H3.
What are the key properties of 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one?
6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one has a molecular weight of 360.69 g/mol, XLogP of 5.62, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one is sourced from PubChem (CID 22339170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).