tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane

C21H28Si — CID 102432622

IUPACtert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)[C@@H](/C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28Si/c1-21(2,3)22(4,5)20(19-14-10-7-11-15-19)17-16-18-12-8-6-9-13-18/h6-17,20H,1-5H3/b17-16-/t20-/m0/s1
InChIKeyTZUVTIFWKQUBNG-DHQBXBPASA-N
MW308.54 g/mol
LogP6.53
Rot. Bonds4

About tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane

tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane (PubChem CID 102432622) has the molecular formula C21H28Si and a molecular weight of 308.54 g/mol. Its IUPAC name is tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane
PubChem CID102432622
Molecular FormulaC21H28Si
Molecular Weight308.54 g/mol
Exact Mass308.20
IUPAC Nametert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)[C@@H](/C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28Si/c1-21(2,3)22(4,5)20(19-14-10-7-11-15-19)17-16-18-12-8-6-9-13-18/h6-17,20H,1-5H3/b17-16-/t20-/m0/s1
InChIKeyTZUVTIFWKQUBNG-DHQBXBPASA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(R)-[tert-butyl(dimethyl)silyl]-phenylmethanol
CID 101051972
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
(Z,1R)-3-phenyl-1-pyridin-3-ylprop-2-en-1-ol
CID 97304511
(E,2S,3R)-2,3,5-triphenylpent-4-en-2-ol
CID 10615189
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal
CID 100913808

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane (CID 102432622) is tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane is CC(C)(C)[Si](C)(C)[C@@H](/C=C\c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane?
The InChIKey is TZUVTIFWKQUBNG-DHQBXBPASA-N. The full InChI is InChI=1S/C21H28Si/c1-21(2,3)22(4,5)20(19-14-10-7-11-15-19)17-16-18-12-8-6-9-13-18/h6-17,20H,1-5H3/b17-16-/t20-/m0/s1.
What are the key properties of tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane?
tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane is sourced from PubChem (CID 102432622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).