[(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane

C22H44BrISi2 — CID 24800636

IUPAC[(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
SMILESCCCCCCC(/C(CCCCCC)=C(\I)[Si](C)(C)C)=C(/Br)[Si](C)(C)C
InChIInChI=1S/C22H44BrISi2/c1-9-11-13-15-17-19(21(23)25(3,4)5)20(18-16-14-12-10-2)22(24)26(6,7)8/h9-18H2,1-8H3/b21-19+,22-20+
InChIKeyOGPNGBVXAUDYLR-FLFKKZLDSA-N
MW571.57 g/mol
LogP10.02
Rot. Bonds13

About [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane

[(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane (PubChem CID 24800636) has the molecular formula C22H44BrISi2 and a molecular weight of 571.57 g/mol. Its IUPAC name is [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
PubChem CID24800636
Molecular FormulaC22H44BrISi2
Molecular Weight571.57 g/mol
Exact Mass570.12
IUPAC Name[(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
SMILESCCCCCCC(/C(CCCCCC)=C(\I)[Si](C)(C)C)=C(/Br)[Si](C)(C)C
InChIInChI=1S/C22H44BrISi2/c1-9-11-13-15-17-19(21(23)25(3,4)5)20(18-16-14-12-10-2)22(24)26(6,7)8/h9-18H2,1-8H3/b21-19+,22-20+
InChIKeyOGPNGBVXAUDYLR-FLFKKZLDSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.57
LogP ≤ 510.02
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

[(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
CID 11307531
[(Z,3E)-1-bromo-2-butyl-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 139249951
[(Z,3Z)-2-hexyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
CID 11169501
{1-Iodo-2-[2-iodo-2-(trimethylsilyl)ethenyl]oct-1-en-1-yl}(trimethyl)silane
CID 71444650
[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-butylhept-1-enyl]-trimethylsilane
CID 101369878
[(Z,3Z)-1-bromo-3-[bromo(trimethylsilyl)methylidene]-2-hexylnon-1-enyl]-trimethylsilane
CID 101459425
[(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
CID 102186083
[(E)-1-iodo-2-[(Z)-2-iodo-2-trimethylsilylethenyl]oct-1-enyl]-trimethylsilane
CID 177449351
[(Z,3E)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
CID 177593370
[(E)-1-iodo-2-[(E)-2-trimethylsilylethenyl]oct-1-enyl]-trimethylsilane
CID 177619364
[(E,3E)-2-hexyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
CID 177619507

Frequently Asked Questions

What is the IUPAC name of [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane?
The IUPAC name of [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane (CID 24800636) is [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane is CCCCCCC(/C(CCCCCC)=C(\I)[Si](C)(C)C)=C(/Br)[Si](C)(C)C.
What is the InChIKey of [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane?
The InChIKey is OGPNGBVXAUDYLR-FLFKKZLDSA-N. The full InChI is InChI=1S/C22H44BrISi2/c1-9-11-13-15-17-19(21(23)25(3,4)5)20(18-16-14-12-10-2)22(24)26(6,7)8/h9-18H2,1-8H3/b21-19+,22-20+.
What are the key properties of [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane?
[(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane has a molecular weight of 571.57 g/mol, XLogP of 10.02, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane is sourced from PubChem (CID 24800636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).