5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one

C22H48O3Si2 — CID 554767

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one
SMILESCCC(=O)CC(O[Si](C)(C)C(C)(C)C)C(CC)C(C)O[Si](CC)(CC)CC
InChIInChI=1S/C22H48O3Si2/c1-12-19(23)17-21(25-26(10,11)22(7,8)9)20(13-2)18(6)24-27(14-3,15-4)16-5/h18,20-21H,12-17H2,1-11H3
InChIKeyMTUIMDVENMXPCK-UHFFFAOYSA-N
MW416.80 g/mol
LogP7.18
Rot. Bonds13

About 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one

5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one (PubChem CID 554767) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one
PubChem CID554767
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one
SMILESCCC(=O)CC(O[Si](C)(C)C(C)(C)C)C(CC)C(C)O[Si](CC)(CC)CC
InChIInChI=1S/C22H48O3Si2/c1-12-19(23)17-21(25-26(10,11)22(7,8)9)20(13-2)18(6)24-27(14-3,15-4)16-5/h18,20-21H,12-17H2,1-11H3
InChIKeyMTUIMDVENMXPCK-UHFFFAOYSA-N
XLogP7.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.18
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)-5,7-Bis-{[tert-butyldimethylsilyl)oxy]}-4,4-dimethylheptan-3-one
CID 9909110
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-propylcyclohexan-1-one
CID 134887200
1-[(4R,5S,6R)-2,2-ditert-butyl-5-methyl-6-propan-2-yl-1,3,2-dioxasilinan-4-yl]butan-2-one
CID 10947879
cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 11065998
(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione
CID 11152128
(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione
CID 11462076
(3S,4S,5S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-3,5,7,9-tetramethyl-4-triethylsilyloxydodecan-6-one
CID 11620544
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(5R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,2,6,8-tetramethylnonan-3-one
CID 15202433
(5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,2,6,8-tetramethylnonan-3-one
CID 15202434
(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
CID 15202437
(4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
CID 15202438

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one (CID 554767) is 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one is CCC(=O)CC(O[Si](C)(C)C(C)(C)C)C(CC)C(C)O[Si](CC)(CC)CC.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one?
The InChIKey is MTUIMDVENMXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-12-19(23)17-21(25-26(10,11)22(7,8)9)20(13-2)18(6)24-27(14-3,15-4)16-5/h18,20-21H,12-17H2,1-11H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one?
5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one has a molecular weight of 416.80 g/mol, XLogP of 7.18, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-7-triethylsilyloxyoctan-3-one is sourced from PubChem (CID 554767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).