4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol

C32H42O6Si — CID 14215325

IUPAC4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol
SMILESC[Si](C)(C)CCOC1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C32H42O6Si/c1-39(2,3)20-19-35-32-31(37-23-27-17-11-6-12-18-27)30(36-22-26-15-9-5-10-16-26)29(33)28(38-32)24-34-21-25-13-7-4-8-14-25/h4-18,28-33H,19-24H2,1-3H3
InChIKeyLQFPSBRSSRUOGE-UHFFFAOYSA-N
MW550.77 g/mol
LogP5.81
Rot. Bonds14

About 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol

4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol (PubChem CID 14215325) has the molecular formula C32H42O6Si and a molecular weight of 550.77 g/mol. Its IUPAC name is 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol.

Molecular Properties

Compound Name4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol
PubChem CID14215325
Molecular FormulaC32H42O6Si
Molecular Weight550.77 g/mol
Exact Mass550.28
IUPAC Name4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol
SMILESC[Si](C)(C)CCOC1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C32H42O6Si/c1-39(2,3)20-19-35-32-31(37-23-27-17-11-6-12-18-27)30(36-22-26-15-9-5-10-16-26)29(33)28(38-32)24-34-21-25-13-7-4-8-14-25/h4-18,28-33H,19-24H2,1-3H3
InChIKeyLQFPSBRSSRUOGE-UHFFFAOYSA-N
XLogP5.81
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.77
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 196122
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Di-p-methylbenzylidenesorbitol
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Benzyl beta-primeveroside
CID 131248
Phenylmethyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
CID 6453389
2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol
CID 9866479
Dibenzylidenesorbitol
CID 10926424
(2R,3S,4S,5R)-1,2,5,6-tetrakis(benzyloxy)hexane-3,4-diol
CID 3011252
(2S,3S,4R,5R,6S)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol
CID 44559130

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol?
The IUPAC name of 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol (CID 14215325) is 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol.
What is the SMILES notation for 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol?
The canonical SMILES for 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol is C[Si](C)(C)CCOC1OC(COCc2ccccc2)C(O)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol?
The InChIKey is LQFPSBRSSRUOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O6Si/c1-39(2,3)20-19-35-32-31(37-23-27-17-11-6-12-18-27)30(36-22-26-15-9-5-10-16-26)29(33)28(38-32)24-34-21-25-13-7-4-8-14-25/h4-18,28-33H,19-24H2,1-3H3.
What are the key properties of 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol?
4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol has a molecular weight of 550.77 g/mol, XLogP of 5.81, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-ol is sourced from PubChem (CID 14215325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).