trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane

C37H44O6Si — CID 12897502

IUPACtrimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane
SMILESC[Si](C)(C)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H44O6Si/c1-44(2,3)43-37-36(41-27-32-22-14-7-15-23-32)35(40-26-31-20-12-6-13-21-31)34(39-25-30-18-10-5-11-19-30)33(42-37)28-38-24-29-16-8-4-9-17-29/h4-23,33-37H,24-28H2,1-3H3/t33-,34-,35+,36-,37+/m1/s1
InChIKeyPTUOHXMVVREBBG-MANRWTMFSA-N
MW612.84 g/mol
LogP7.54
Rot. Bonds15

About trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane

trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane (PubChem CID 12897502) has the molecular formula C37H44O6Si and a molecular weight of 612.84 g/mol. Its IUPAC name is trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane
PubChem CID12897502
Molecular FormulaC37H44O6Si
Molecular Weight612.84 g/mol
Exact Mass612.29
IUPAC Nametrimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane
SMILESC[Si](C)(C)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H44O6Si/c1-44(2,3)43-37-36(41-27-32-22-14-7-15-23-32)35(40-26-31-20-12-6-13-21-31)34(39-25-30-18-10-5-11-19-30)33(42-37)28-38-24-29-16-8-4-9-17-29/h4-23,33-37H,24-28H2,1-3H3/t33-,34-,35+,36-,37+/m1/s1
InChIKeyPTUOHXMVVREBBG-MANRWTMFSA-N
XLogP7.54
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.84
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane?
The IUPAC name of trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane (CID 12897502) is trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane is C[Si](C)(C)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane?
The InChIKey is PTUOHXMVVREBBG-MANRWTMFSA-N. The full InChI is InChI=1S/C37H44O6Si/c1-44(2,3)43-37-36(41-27-32-22-14-7-15-23-32)35(40-26-31-20-12-6-13-21-31)34(39-25-30-18-10-5-11-19-30)33(42-37)28-38-24-29-16-8-4-9-17-29/h4-23,33-37H,24-28H2,1-3H3/t33-,34-,35+,36-,37+/m1/s1.
What are the key properties of trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane?
trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane has a molecular weight of 612.84 g/mol, XLogP of 7.54, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxysilane is sourced from PubChem (CID 12897502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).