tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane

C31H32OSi — CID 135009658

IUPACtert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC(/C=C/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32OSi/c1-31(2,3)33(28-20-12-6-13-21-28,29-22-14-7-15-23-29)32-30(27-18-10-5-11-19-27)25-24-26-16-8-4-9-17-26/h4-25,30H,1-3H3/b25-24+
InChIKeyVAWDEPWYUHXNQN-OCOZRVBESA-N
MW448.68 g/mol
LogP7.02
Rot. Bonds7

About tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane

tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane (PubChem CID 135009658) has the molecular formula C31H32OSi and a molecular weight of 448.68 g/mol. Its IUPAC name is tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
PubChem CID135009658
Molecular FormulaC31H32OSi
Molecular Weight448.68 g/mol
Exact Mass448.22
IUPAC Nametert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC(/C=C/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32OSi/c1-31(2,3)33(28-20-12-6-13-21-28,29-22-14-7-15-23-29)32-30(27-18-10-5-11-19-27)25-24-26-16-8-4-9-17-26/h4-25,30H,1-3H3/b25-24+
InChIKeyVAWDEPWYUHXNQN-OCOZRVBESA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.68
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
(E,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methyl-6-phenylhex-5-en-3-ol
CID 10026512
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
[(E)-1,3-diphenylprop-2-enoxy]benzene
CID 11289166
tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane
CID 102432622
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
[(E)-1,3-diphenylprop-2-enyl] 4-tert-butylbenzoate
CID 101260855
tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane (CID 135009658) is tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane is CC(C)(C)[Si](OC(/C=C/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane?
The InChIKey is VAWDEPWYUHXNQN-OCOZRVBESA-N. The full InChI is InChI=1S/C31H32OSi/c1-31(2,3)33(28-20-12-6-13-21-28,29-22-14-7-15-23-29)32-30(27-18-10-5-11-19-27)25-24-26-16-8-4-9-17-26/h4-25,30H,1-3H3/b25-24+.
What are the key properties of tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane?
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane has a molecular weight of 448.68 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane is sourced from PubChem (CID 135009658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).