(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one

C22H48O3Si2 — CID 132991372

IUPAC(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one
SMILESCCC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-13-15-18(17-24-26(9,10)21(3,4)5)20(16-19(23)14-2)25-27(11,12)22(6,7)8/h18,20H,13-17H2,1-12H3/t18-,20+/m0/s1
InChIKeyHHECMXWGAHMWRY-AZUAARDMSA-N
MW416.80 g/mol
LogP7.18
Rot. Bonds11

About (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one

(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one (PubChem CID 132991372) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one.

Molecular Properties

Compound Name(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one
PubChem CID132991372
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one
SMILESCCC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O3Si2/c1-13-15-18(17-24-26(9,10)21(3,4)5)20(16-19(23)14-2)25-27(11,12)22(6,7)8/h18,20H,13-17H2,1-12H3/t18-,20+/m0/s1
InChIKeyHHECMXWGAHMWRY-AZUAARDMSA-N
XLogP7.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
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

(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]non-1-en-3-one
CID 132991371
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
CID 146163917
tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate
CID 101386007
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
ethyl (4R,7S,8S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-4,8-dimethylnonanoate
CID 102469145
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
3-[tert-butyl(dimethyl)silyl]oxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoic acid
CID 90700845
methyl (4S,5S,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyheptanoate
CID 24828635
(1S,2R,4S,5S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]nonane-3,7-dione
CID 89190748
[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid
CID 87421528
ethyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpentanoate
CID 102382083

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one?
The IUPAC name of (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one (CID 132991372) is (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one.
What is the SMILES notation for (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one?
The canonical SMILES for (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one is CCC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one?
The InChIKey is HHECMXWGAHMWRY-AZUAARDMSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-13-15-18(17-24-26(9,10)21(3,4)5)20(16-19(23)14-2)25-27(11,12)22(6,7)8/h18,20H,13-17H2,1-12H3/t18-,20+/m0/s1.
What are the key properties of (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one?
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one has a molecular weight of 416.80 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]nonan-3-one is sourced from PubChem (CID 132991372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).