[(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane

C19H22I2Si — CID 23650015

IUPAC[(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane
SMILESC[Si](C)(C)C(I)C/C(=C(\I)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22I2Si/c1-22(2,3)18(20)14-17(15-10-6-4-7-11-15)19(21)16-12-8-5-9-13-16/h4-13,18H,14H2,1-3H3/b19-17+
InChIKeyGPRMKKXXSOPMKT-HTXNQAPBSA-N
MW532.28 g/mol
LogP7.06
Rot. Bonds5

About [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane

[(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane (PubChem CID 23650015) has the molecular formula C19H22I2Si and a molecular weight of 532.28 g/mol. Its IUPAC name is [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane
PubChem CID23650015
Molecular FormulaC19H22I2Si
Molecular Weight532.28 g/mol
Exact Mass531.96
IUPAC Name[(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane
SMILESC[Si](C)(C)C(I)C/C(=C(\I)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22I2Si/c1-22(2,3)18(20)14-17(15-10-6-4-7-11-15)19(21)16-12-8-5-9-13-16/h4-13,18H,14H2,1-3H3/b19-17+
InChIKeyGPRMKKXXSOPMKT-HTXNQAPBSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.28
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one
CID 102231064
(Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine
CID 170891137
3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
CID 101447394
trimethyl-[(Z)-4-methyl-2-phenyl-1-propan-2-yloxypent-1-enoxy]silane
CID 102398386
3-iodo-1-phenylpentan-1-one
CID 22934254
3,3-diphenyl-1-trimethylsilylpropan-1-ol
CID 11196880
[(Z)-1-chloro-2-iodo-2-phenylethenyl]benzene
CID 12555898
(2S)-2-methyl-4-oxo-4-phenylbutanenitrile
CID 92981541
(Z)-1-iodo-1,2-diphenylhex-1-en-3-ol
CID 134884562
(1-bromo-2-phenylprop-2-enyl)-trimethylsilane
CID 15744273
trimethyl-[(E)-2-phenyl-3-trimethylsilylprop-1-enyl]silane
CID 10015597
1,1-diethoxybut-1-en-2-ylbenzene
CID 66973345

Frequently Asked Questions

What is the IUPAC name of [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane?
The IUPAC name of [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane (CID 23650015) is [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane?
The canonical SMILES for [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane is C[Si](C)(C)C(I)C/C(=C(\I)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane?
The InChIKey is GPRMKKXXSOPMKT-HTXNQAPBSA-N. The full InChI is InChI=1S/C19H22I2Si/c1-22(2,3)18(20)14-17(15-10-6-4-7-11-15)19(21)16-12-8-5-9-13-16/h4-13,18H,14H2,1-3H3/b19-17+.
What are the key properties of [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane?
[(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane has a molecular weight of 532.28 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane is sourced from PubChem (CID 23650015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).