[(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane

C15H28I2Si — CID 101198044

IUPAC[(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane
SMILESCCCC/C(I)=C(/C=C(\I)[Si](C)(C)C)CCCC
InChIInChI=1S/C15H28I2Si/c1-6-8-10-13(14(16)11-9-7-2)12-15(17)18(3,4)5/h12H,6-11H2,1-5H3/b14-13-,15-12+
InChIKeyRDVJDWWDKVVWOB-GKWZYGEFSA-N
MW490.28 g/mol
LogP7.25
Rot. Bonds8

About [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane

[(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane (PubChem CID 101198044) has the molecular formula C15H28I2Si and a molecular weight of 490.28 g/mol. Its IUPAC name is [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane
PubChem CID101198044
Molecular FormulaC15H28I2Si
Molecular Weight490.28 g/mol
Exact Mass490.00
IUPAC Name[(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane
SMILESCCCC/C(I)=C(/C=C(\I)[Si](C)(C)C)CCCC
InChIInChI=1S/C15H28I2Si/c1-6-8-10-13(14(16)11-9-7-2)12-15(17)18(3,4)5/h12H,6-11H2,1-5H3/b14-13-,15-12+
InChIKeyRDVJDWWDKVVWOB-GKWZYGEFSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.28
LogP ≤ 57.25
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

[(1Z,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane
CID 11261306
[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 102328146
[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 134888022
[(Z)-4-iodo-3-propylhept-3-enyl]-trimethylsilane
CID 134902255
[(E)-1-iodo-3-propylhept-3-enyl]-trimethylsilane
CID 134981367
[(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
[(Z)-3-cyclohexylidene-1-iodoprop-1-enyl]-trimethylsilane
CID 14978662
3-Iodopropyl-dimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane
CID 18990734
[(Z)-iodo-[(2Z)-2-(1-iodoethylidene)cyclohexylidene]methyl]-trimethylsilane
CID 157856976
Iodo-[1-(5-iodocyclopenten-1-yl)propan-2-yl]-di(propan-2-yl)silane
CID 162744737
[(E)-3-cyclopentylidene-1-iodoprop-1-enyl]-trimethylsilane
CID 9972401

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane (CID 101198044) is [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane is CCCC/C(I)=C(/C=C(\I)[Si](C)(C)C)CCCC.
What is the InChIKey of [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane?
The InChIKey is RDVJDWWDKVVWOB-GKWZYGEFSA-N. The full InChI is InChI=1S/C15H28I2Si/c1-6-8-10-13(14(16)11-9-7-2)12-15(17)18(3,4)5/h12H,6-11H2,1-5H3/b14-13-,15-12+.
What are the key properties of [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane?
[(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane has a molecular weight of 490.28 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 101198044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).