[(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane

C23H45ISi — CID 12012519

IUPAC[(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane
SMILESCCCCCC/C(I)=C/C(CCCCCC)=C(/CCCC)[Si](C)(C)C
InChIInChI=1S/C23H45ISi/c1-7-10-13-15-17-21(20-22(24)18-16-14-11-8-2)23(19-12-9-3)25(4,5)6/h20H,7-19H2,1-6H3/b22-20-,23-21-
InChIKeyCCEMYOAPRLJNOA-YEUCEMRASA-N
MW476.60 g/mol
LogP9.61
Rot. Bonds15

About [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane

[(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane (PubChem CID 12012519) has the molecular formula C23H45ISi and a molecular weight of 476.60 g/mol. Its IUPAC name is [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane
PubChem CID12012519
Molecular FormulaC23H45ISi
Molecular Weight476.60 g/mol
Exact Mass476.23
IUPAC Name[(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane
SMILESCCCCCC/C(I)=C/C(CCCCCC)=C(/CCCC)[Si](C)(C)C
InChIInChI=1S/C23H45ISi/c1-7-10-13-15-17-21(20-22(24)18-16-14-11-8-2)23(19-12-9-3)25(4,5)6/h20H,7-19H2,1-6H3/b22-20-,23-21-
InChIKeyCCEMYOAPRLJNOA-YEUCEMRASA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 59.61
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

[(E)-3-butyl-2-methyl-5-methylidenenon-2-enyl]-triethylsilane
CID 101777994
trimethyl-[(2E)-5-pentyldeca-2,4-dienyl]silane
CID 11196759
[(1Z,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane
CID 11261306
(4Z,6E)-4-iodo-5,6-dipropyldeca-4,6-diene
CID 11371460
Trimethyl-[2-(trimethylsilylmethyl)dodec-2-enyl]silane
CID 16046668
[(E)-3-butyl-5-methylidenenon-2-en-2-yl]-trimethylsilane
CID 101777993
1,1-Dimethyl-2,4-dioctylsilole
CID 101836332
2,4-Dihexyl-1,1-dimethylsilole
CID 102088905
[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
tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane
CID 134941907

Frequently Asked Questions

What is the IUPAC name of [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane?
The IUPAC name of [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane (CID 12012519) is [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane.
What is the SMILES notation for [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane?
The canonical SMILES for [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane is CCCCCC/C(I)=C/C(CCCCCC)=C(/CCCC)[Si](C)(C)C.
What is the InChIKey of [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane?
The InChIKey is CCEMYOAPRLJNOA-YEUCEMRASA-N. The full InChI is InChI=1S/C23H45ISi/c1-7-10-13-15-17-21(20-22(24)18-16-14-11-8-2)23(19-12-9-3)25(4,5)6/h20H,7-19H2,1-6H3/b22-20-,23-21-.
What are the key properties of [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane?
[(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane has a molecular weight of 476.60 g/mol, XLogP of 9.61, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,7Z)-6-hexyl-8-iodotetradeca-5,7-dien-5-yl]-trimethylsilane is sourced from PubChem (CID 12012519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).