[(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane

C21H28Si — CID 134835375

IUPAC[(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane
SMILESCC[C@@](C)(/C=C\c1ccccc1)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H28Si/c1-5-21(2,17-16-19-12-8-6-9-13-19)18-22(3,4)20-14-10-7-11-15-20/h6-17H,5,18H2,1-4H3/b17-16-/t21-/m0/s1
InChIKeyWBHITZLVTCKBET-IIUXCQHESA-N
MW308.54 g/mol
LogP5.73
Rot. Bonds6

About [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane

[(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane (PubChem CID 134835375) has the molecular formula C21H28Si and a molecular weight of 308.54 g/mol. Its IUPAC name is [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane
PubChem CID134835375
Molecular FormulaC21H28Si
Molecular Weight308.54 g/mol
Exact Mass308.20
IUPAC Name[(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane
SMILESCC[C@@](C)(/C=C\c1ccccc1)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H28Si/c1-5-21(2,17-16-19-12-8-6-9-13-19)18-22(3,4)20-14-10-7-11-15-20/h6-17H,5,18H2,1-4H3/b17-16-/t21-/m0/s1
InChIKeyWBHITZLVTCKBET-IIUXCQHESA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane?
The IUPAC name of [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane (CID 134835375) is [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane?
The canonical SMILES for [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane is CC[C@@](C)(/C=C\c1ccccc1)C[Si](C)(C)c1ccccc1.
What is the InChIKey of [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane?
The InChIKey is WBHITZLVTCKBET-IIUXCQHESA-N. The full InChI is InChI=1S/C21H28Si/c1-5-21(2,17-16-19-12-8-6-9-13-19)18-22(3,4)20-14-10-7-11-15-20/h6-17H,5,18H2,1-4H3/b17-16-/t21-/m0/s1.
What are the key properties of [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane?
[(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane has a molecular weight of 308.54 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-2-ethyl-2-methyl-4-phenylbut-3-enyl]-dimethyl-phenylsilane is sourced from PubChem (CID 134835375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).