[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane

C13H24I2Si — CID 102328146

IUPAC[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
SMILESCCC/C(I)=C(/C=C(\I)[Si](C)(C)C)CCC
InChIInChI=1S/C13H24I2Si/c1-6-8-11(12(14)9-7-2)10-13(15)16(3,4)5/h10H,6-9H2,1-5H3/b12-11-,13-10+
InChIKeyJMVKVJHKXQMFBJ-QOLBIDBBSA-N
MW462.23 g/mol
LogP6.47
Rot. Bonds6

About [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane

[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane (PubChem CID 102328146) has the molecular formula C13H24I2Si and a molecular weight of 462.23 g/mol. Its IUPAC name is [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
PubChem CID102328146
Molecular FormulaC13H24I2Si
Molecular Weight462.23 g/mol
Exact Mass461.97
IUPAC Name[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
SMILESCCC/C(I)=C(/C=C(\I)[Si](C)(C)C)CCC
InChIInChI=1S/C13H24I2Si/c1-6-8-11(12(14)9-7-2)10-13(15)16(3,4)5/h10H,6-9H2,1-5H3/b12-11-,13-10+
InChIKeyJMVKVJHKXQMFBJ-QOLBIDBBSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.23
LogP ≤ 56.47
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
[(Z)-1-iodo-2-[(Z)-2-iodo-2-trimethylsilylethenyl]pent-1-enyl]-trimethylsilane
CID 11443268
[(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
(2-Iodo-4,5-dimethylcyclohexa-1,3-dien-1-yl)-trimethylsilane
CID 173880760
(4-Iodo-3,5-dimethylcyclohexa-1,5-dien-1-yl)-trimethylsilane
CID 173913171
[(E)-3-cyclopentylidene-1-iodoprop-1-enyl]-trimethylsilane
CID 9972401
[(E)-3-cyclohexylidene-1-iodoprop-1-enyl]-trimethylsilane
CID 10041668

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane (CID 102328146) is [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane is CCC/C(I)=C(/C=C(\I)[Si](C)(C)C)CCC.
What is the InChIKey of [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane?
The InChIKey is JMVKVJHKXQMFBJ-QOLBIDBBSA-N. The full InChI is InChI=1S/C13H24I2Si/c1-6-8-11(12(14)9-7-2)10-13(15)16(3,4)5/h10H,6-9H2,1-5H3/b12-11-,13-10+.
What are the key properties of [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane?
[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane has a molecular weight of 462.23 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 102328146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).