[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane

C13H21ISi — CID 135038847

IUPAC[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
SMILESC=C(C1=CCCCC1)/C(=C\I)[Si](C)(C)C
InChIInChI=1S/C13H21ISi/c1-11(12-8-6-5-7-9-12)13(10-14)15(2,3)4/h8,10H,1,5-7,9H2,2-4H3/b13-10+
InChIKeyCZXXEPYUTGSDHU-JLHYYAGUSA-N
MW332.30 g/mol
LogP5.24
Rot. Bonds3

About [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane

[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane (PubChem CID 135038847) has the molecular formula C13H21ISi and a molecular weight of 332.30 g/mol. Its IUPAC name is [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
PubChem CID135038847
Molecular FormulaC13H21ISi
Molecular Weight332.30 g/mol
Exact Mass332.05
IUPAC Name[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
SMILESC=C(C1=CCCCC1)/C(=C\I)[Si](C)(C)C
InChIInChI=1S/C13H21ISi/c1-11(12-8-6-5-7-9-12)13(10-14)15(2,3)4/h8,10H,1,5-7,9H2,2-4H3/b13-10+
InChIKeyCZXXEPYUTGSDHU-JLHYYAGUSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.30
LogP ≤ 55.24
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylbut-1-en-2-yl)cyclohexene
CID 91451932
3-(cyclopenten-1-yl)but-3-en-2-one
CID 130028502
2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
CID 102343479
tert-butyl-[1-(cyclohexen-1-yl)ethenoxy]-dimethylsilane
CID 10955633
2-(cyclopenten-1-yl)prop-2-enoic acid
CID 15807267
2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide
CID 102343482
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene
CID 10997998
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
S-octyl 2-(cyclohexen-1-yl)prop-2-enethioate
CID 10493043
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877

Frequently Asked Questions

What is the IUPAC name of [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane?
The IUPAC name of [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane (CID 135038847) is [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane.
What is the SMILES notation for [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane?
The canonical SMILES for [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane is C=C(C1=CCCCC1)/C(=C\I)[Si](C)(C)C.
What is the InChIKey of [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane?
The InChIKey is CZXXEPYUTGSDHU-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H21ISi/c1-11(12-8-6-5-7-9-12)13(10-14)15(2,3)4/h8,10H,1,5-7,9H2,2-4H3/b13-10+.
What are the key properties of [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane?
[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane has a molecular weight of 332.30 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane is sourced from PubChem (CID 135038847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).