triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane

C20H32O3Si — CID 134883116

IUPACtriethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
SMILESCC[Si](CC)(CC)O[C@H]1C=CO[C@@H](COCc2ccccc2)[C@@H]1C
InChIInChI=1S/C20H32O3Si/c1-5-24(6-2,7-3)23-19-13-14-22-20(17(19)4)16-21-15-18-11-9-8-10-12-18/h8-14,17,19-20H,5-7,15-16H2,1-4H3/t17-,19+,20+/m1/s1
InChIKeyDHWXBVJVTIAIFI-HOJAQTOUSA-N
MW348.56 g/mol
LogP5.14
Rot. Bonds9

About triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane

triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane (PubChem CID 134883116) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
PubChem CID134883116
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Nametriethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
SMILESCC[Si](CC)(CC)O[C@H]1C=CO[C@@H](COCc2ccccc2)[C@@H]1C
InChIInChI=1S/C20H32O3Si/c1-5-24(6-2,7-3)23-19-13-14-22-20(17(19)4)16-21-15-18-11-9-8-10-12-18/h8-14,17,19-20H,5-7,15-16H2,1-4H3/t17-,19+,20+/m1/s1
InChIKeyDHWXBVJVTIAIFI-HOJAQTOUSA-N
XLogP5.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.14
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

triethyl-[(2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl)oxy]silane
CID 59913106
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 85384658
(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 58859609
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R)-2,3-dimethyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 118517725
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
tert-butyl [(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl] carbonate
CID 101338434
(3R,4S,5S,6S)-3,5-dimethyl-6-(2-phenylmethoxyethyl)-4-triethylsilyloxyoxan-2-one
CID 11361365
tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59672533
benzotriazol-1-yl-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]methanone
CID 10981609

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The IUPAC name of triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane (CID 134883116) is triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane.
What is the SMILES notation for triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The canonical SMILES for triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane is CC[Si](CC)(CC)O[C@H]1C=CO[C@@H](COCc2ccccc2)[C@@H]1C.
What is the InChIKey of triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The InChIKey is DHWXBVJVTIAIFI-HOJAQTOUSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-5-24(6-2,7-3)23-19-13-14-22-20(17(19)4)16-21-15-18-11-9-8-10-12-18/h8-14,17,19-20H,5-7,15-16H2,1-4H3/t17-,19+,20+/m1/s1.
What are the key properties of triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane has a molecular weight of 348.56 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane is sourced from PubChem (CID 134883116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).