(4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one

C18H38O4Si2 — CID 173349445

IUPAC(4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one
SMILESC[SiH](C)OCC1C(=O)O[C@H](C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)15-11-14(22-24(9,10)18(4,5)6)13(16(19)21-15)12-20-23(7)8/h13-15,23H,11-12H2,1-10H3/t13?,14-,15-/m0/s1
InChIKeyZFPIGQHREQOBNI-FGRDXJNISA-N
MW374.67 g/mol
LogP4.35
Rot. Bonds5

About (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one

(4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one (PubChem CID 173349445) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one
PubChem CID173349445
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name(4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one
SMILESC[SiH](C)OCC1C(=O)O[C@H](C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)15-11-14(22-24(9,10)18(4,5)6)13(16(19)21-15)12-20-23(7)8/h13-15,23H,11-12H2,1-10H3/t13?,14-,15-/m0/s1
InChIKeyZFPIGQHREQOBNI-FGRDXJNISA-N
XLogP4.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
5-tert-butyl-3-hydroxyoxolan-2-one
CID 130128807
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6,7-dimethylbicyclo[3.2.1]octan-2-one
CID 102300600
(3S,3aR,5S,6R,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 11558490
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one
CID 11267379
(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 58570828
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(3aR,4S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 174065408
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 71762485
(3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohexan-1-one
CID 11165096

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one?
The IUPAC name of (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one (CID 173349445) is (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one.
What is the SMILES notation for (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one?
The canonical SMILES for (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one is C[SiH](C)OCC1C(=O)O[C@H](C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one?
The InChIKey is ZFPIGQHREQOBNI-FGRDXJNISA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-17(2,3)15-11-14(22-24(9,10)18(4,5)6)13(16(19)21-15)12-20-23(7)8/h13-15,23H,11-12H2,1-10H3/t13?,14-,15-/m0/s1.
What are the key properties of (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one?
(4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one has a molecular weight of 374.67 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 173349445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).