[(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane

C19H36I2Si — CID 177463144

IUPAC[(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane
SMILESCCCCCC/C(I)=C/C(CCCCCC)=C(/I)[Si](C)(C)C
InChIInChI=1S/C19H36I2Si/c1-6-8-10-12-14-17(19(21)22(3,4)5)16-18(20)15-13-11-9-7-2/h16H,6-15H2,1-5H3/b18-16-,19-17-
InChIKeyVPAAXKGDIDGZPW-YGGBKCGDSA-N
MW546.39 g/mol
LogP8.81
Rot. Bonds12

About [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane

[(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane (PubChem CID 177463144) has the molecular formula C19H36I2Si and a molecular weight of 546.39 g/mol. Its IUPAC name is [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane
PubChem CID177463144
Molecular FormulaC19H36I2Si
Molecular Weight546.39 g/mol
Exact Mass546.07
IUPAC Name[(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane
SMILESCCCCCC/C(I)=C/C(CCCCCC)=C(/I)[Si](C)(C)C
InChIInChI=1S/C19H36I2Si/c1-6-8-10-12-14-17(19(21)22(3,4)5)16-18(20)15-13-11-9-7-2/h16H,6-15H2,1-5H3/b18-16-,19-17-
InChIKeyVPAAXKGDIDGZPW-YGGBKCGDSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.39
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

trimethyl-[(2E)-5-pentyldeca-2,4-dienyl]silane
CID 11196759
[(1Z,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane
CID 11261306
1,1-Dimethyl-2,4-dioctylsilole
CID 101836332
2,4-Dihexyl-1,1-dimethylsilole
CID 102088905
[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 102328146
[1-Deutero-2-(2-deutero1-cycloocten-1-yl)-hex-1-en-1-yl](trimethyl)silane
CID 129754933
(2-1-Cycloocten-1-yl-hex-1-en-1-yl)(trimethyl)-silane
CID 129755114
[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 134888022
trimethyl-[(2Z)-5-pentyldeca-2,4-dienyl]silane
CID 134993775
[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane
CID 135010675
[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
CID 135038847
2-Cyclododecylideneethyl(triethyl)silane
CID 154721166

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane (CID 177463144) is [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane is CCCCCC/C(I)=C/C(CCCCCC)=C(/I)[Si](C)(C)C.
What is the InChIKey of [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane?
The InChIKey is VPAAXKGDIDGZPW-YGGBKCGDSA-N. The full InChI is InChI=1S/C19H36I2Si/c1-6-8-10-12-14-17(19(21)22(3,4)5)16-18(20)15-13-11-9-7-2/h16H,6-15H2,1-5H3/b18-16-,19-17-.
What are the key properties of [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane?
[(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane has a molecular weight of 546.39 g/mol, XLogP of 8.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 177463144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).