(4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one

C21H26O3Si — CID 11002734

IUPAC(4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one
SMILESC[Si](C)(c1ccccc1)[C@H]1CC(=O)O[C@H](COCc2ccccc2)C1
InChIInChI=1S/C21H26O3Si/c1-25(2,19-11-7-4-8-12-19)20-13-18(24-21(22)14-20)16-23-15-17-9-5-3-6-10-17/h3-12,18,20H,13-16H2,1-2H3/t18-,20+/m0/s1
InChIKeyBGLWJLDRVJEYJD-AZUAARDMSA-N
MW354.52 g/mol
LogP3.89
Rot. Bonds6

About (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one

(4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one (PubChem CID 11002734) has the molecular formula C21H26O3Si and a molecular weight of 354.52 g/mol. Its IUPAC name is (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one
PubChem CID11002734
Molecular FormulaC21H26O3Si
Molecular Weight354.52 g/mol
Exact Mass354.17
IUPAC Name(4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one
SMILESC[Si](C)(c1ccccc1)[C@H]1CC(=O)O[C@H](COCc2ccccc2)C1
InChIInChI=1S/C21H26O3Si/c1-25(2,19-11-7-4-8-12-19)20-13-18(24-21(22)14-20)16-23-15-17-9-5-3-6-10-17/h3-12,18,20H,13-16H2,1-2H3/t18-,20+/m0/s1
InChIKeyBGLWJLDRVJEYJD-AZUAARDMSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.89
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

Dibenzyl adipate
CID 75561
Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester
CID 111027
benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
1-Phenylethyl benzeneacetate
CID 4061172
benzyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44420182
benzyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44420192
1-Phenylmethoxypropan-2-yl 2-ethylhexanoate
CID 86278333
6-(Phenylmethoxymethyl)oxan-2-one
CID 13705492
[(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate
CID 166438746
[(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate
CID 166438747
[(1R)-1,2,2-triphenyl-2-trimethylsilyloxyethyl] (2S,3S,4R)-2,3,4-trimethyl-5-oxohexanoate
CID 10984122
(2R,3S,5S)-3-[dimethyl(phenyl)silyl]-2-hexyl-5-phenylmethoxyhexadecanoic acid
CID 14610785

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one?
The IUPAC name of (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one (CID 11002734) is (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one.
What is the SMILES notation for (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one?
The canonical SMILES for (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one is C[Si](C)(c1ccccc1)[C@H]1CC(=O)O[C@H](COCc2ccccc2)C1.
What is the InChIKey of (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one?
The InChIKey is BGLWJLDRVJEYJD-AZUAARDMSA-N. The full InChI is InChI=1S/C21H26O3Si/c1-25(2,19-11-7-4-8-12-19)20-13-18(24-21(22)14-20)16-23-15-17-9-5-3-6-10-17/h3-12,18,20H,13-16H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one?
(4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one has a molecular weight of 354.52 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-[dimethyl(phenyl)silyl]-6-(phenylmethoxymethyl)oxan-2-one is sourced from PubChem (CID 11002734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).