diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane

C32H32O2Si — CID 10766970

IUPACdiphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane
SMILESC=C[C@H](Cc1ccccc1)O[Si](O[C@H](C=C)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32O2Si/c1-3-29(25-27-17-9-5-10-18-27)33-35(31-21-13-7-14-22-31,32-23-15-8-16-24-32)34-30(4-2)26-28-19-11-6-12-20-28/h3-24,29-30H,1-2,25-26H2/t29-,30-/m1/s1
InChIKeyYRAOZGREVZTIDZ-LOYHVIPDSA-N
MW476.69 g/mol
LogP5.87
Rot. Bonds12

About diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane

diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane (PubChem CID 10766970) has the molecular formula C32H32O2Si and a molecular weight of 476.69 g/mol. Its IUPAC name is diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane.

Molecular Properties

Compound Namediphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane
PubChem CID10766970
Molecular FormulaC32H32O2Si
Molecular Weight476.69 g/mol
Exact Mass476.22
IUPAC Namediphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane
SMILESC=C[C@H](Cc1ccccc1)O[Si](O[C@H](C=C)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32O2Si/c1-3-29(25-27-17-9-5-10-18-27)33-35(31-21-13-7-14-22-31,32-23-15-8-16-24-32)34-30(4-2)26-28-19-11-6-12-20-28/h3-24,29-30H,1-2,25-26H2/t29-,30-/m1/s1
InChIKeyYRAOZGREVZTIDZ-LOYHVIPDSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane?
The IUPAC name of diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane (CID 10766970) is diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane.
What is the SMILES notation for diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane?
The canonical SMILES for diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane is C=C[C@H](Cc1ccccc1)O[Si](O[C@H](C=C)Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane?
The InChIKey is YRAOZGREVZTIDZ-LOYHVIPDSA-N. The full InChI is InChI=1S/C32H32O2Si/c1-3-29(25-27-17-9-5-10-18-27)33-35(31-21-13-7-14-22-31,32-23-15-8-16-24-32)34-30(4-2)26-28-19-11-6-12-20-28/h3-24,29-30H,1-2,25-26H2/t29-,30-/m1/s1.
What are the key properties of diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane?
diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane has a molecular weight of 476.69 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane is sourced from PubChem (CID 10766970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).