tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane

C25H27ISi — CID 10096760

IUPACtert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane
SMILESCC(C)(C)[Si](/C=C(\I)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ISi/c1-25(2,3)27(23-15-9-5-10-16-23,24-17-11-6-12-18-24)20-22(26)19-21-13-7-4-8-14-21/h4-18,20H,19H2,1-3H3/b22-20-
InChIKeyDQNFZHBGJLYDHM-XDOYNYLZSA-N
MW482.48 g/mol
LogP6.15
Rot. Bonds5

About tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane

tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane (PubChem CID 10096760) has the molecular formula C25H27ISi and a molecular weight of 482.48 g/mol. Its IUPAC name is tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane
PubChem CID10096760
Molecular FormulaC25H27ISi
Molecular Weight482.48 g/mol
Exact Mass482.09
IUPAC Nametert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane
SMILESCC(C)(C)[Si](/C=C(\I)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ISi/c1-25(2,3)27(23-15-9-5-10-16-23,24-17-11-6-12-18-24)20-22(26)19-21-13-7-4-8-14-21/h4-18,20H,19H2,1-3H3/b22-20-
InChIKeyDQNFZHBGJLYDHM-XDOYNYLZSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane
CID 11798344
tert-butyl-[(Z)-2,3-diphenylprop-1-enyl]-dimethylsilane
CID 101151962
(E)-1-phenylbut-2-en-2-ol
CID 170790149
(E)-3-[tert-butyl(diphenyl)silyl]-1-phenylprop-2-en-1-one
CID 102342624
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
hydroxy-(2-methyl-6-phenylhexan-2-yl)-diphenylsilane
CID 70887086
(E)-1-[tert-butyl(diphenyl)silyl]oct-1-en-3-ol
CID 101387251
(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
CID 59717822
1,3-diphenylpropan-2-ylidenezirconium(2+)
CID 22171883
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
bis((Z)-2-benzyl-3-oxobut-1-en-1-olate);nickel(2+)
CID 2750417

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane?
The IUPAC name of tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane (CID 10096760) is tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane is CC(C)(C)[Si](/C=C(\I)Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane?
The InChIKey is DQNFZHBGJLYDHM-XDOYNYLZSA-N. The full InChI is InChI=1S/C25H27ISi/c1-25(2,3)27(23-15-9-5-10-16-23,24-17-11-6-12-18-24)20-22(26)19-21-13-7-4-8-14-21/h4-18,20H,19H2,1-3H3/b22-20-.
What are the key properties of tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane?
tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane has a molecular weight of 482.48 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-2-iodo-3-phenylprop-1-enyl]-diphenylsilane is sourced from PubChem (CID 10096760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).