[(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane

C18H36I2Si2 — CID 11307531

IUPAC[(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
SMILESCCCCC(/C(CCCC)=C(\I)[Si](C)(C)C)=C(/I)[Si](C)(C)C
InChIInChI=1S/C18H36I2Si2/c1-9-11-13-15(17(19)21(3,4)5)16(14-12-10-2)18(20)22(6,7)8/h9-14H2,1-8H3/b17-15+,18-16+
InChIKeyDKULVYZYOMZSIY-YTEMWHBBSA-N
MW562.47 g/mol
LogP8.50
Rot. Bonds9

About [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane

[(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane (PubChem CID 11307531) has the molecular formula C18H36I2Si2 and a molecular weight of 562.47 g/mol. Its IUPAC name is [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
PubChem CID11307531
Molecular FormulaC18H36I2Si2
Molecular Weight562.47 g/mol
Exact Mass562.04
IUPAC Name[(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
SMILESCCCCC(/C(CCCC)=C(\I)[Si](C)(C)C)=C(/I)[Si](C)(C)C
InChIInChI=1S/C18H36I2Si2/c1-9-11-13-15(17(19)21(3,4)5)16(14-12-10-2)18(20)22(6,7)8/h9-14H2,1-8H3/b17-15+,18-16+
InChIKeyDKULVYZYOMZSIY-YTEMWHBBSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.47
LogP ≤ 58.50
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

[(Z,3Z)-3-[[dimethyl(pent-1-ynyl)silyl]-iodomethylidene]-1-iodo-2-propylhex-1-enyl]-dimethyl-pent-1-ynylsilane
CID 44156047
[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 134888022
[(Z,3Z)-2-hexyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
CID 11169501
[(E)-1-iodo-2-methyloct-1-enyl]-trimethylsilane
CID 12426813
[(Z,3Z)-1-bromo-2-hexyl-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
CID 24800636
{1-Iodo-2-[2-iodo-2-(trimethylsilyl)ethenyl]oct-1-en-1-yl}(trimethyl)silane
CID 71444650
[(Z)-iodo-[(2Z,4Z,5Z)-2,4,5-tris[iodo(trimethylsilyl)methylidene]cyclohexylidene]methyl]-trimethylsilane
CID 101171139
[(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)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane?
The IUPAC name of [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane (CID 11307531) is [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane is CCCCC(/C(CCCC)=C(\I)[Si](C)(C)C)=C(/I)[Si](C)(C)C.
What is the InChIKey of [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane?
The InChIKey is DKULVYZYOMZSIY-YTEMWHBBSA-N. The full InChI is InChI=1S/C18H36I2Si2/c1-9-11-13-15(17(19)21(3,4)5)16(14-12-10-2)18(20)22(6,7)8/h9-14H2,1-8H3/b17-15+,18-16+.
What are the key properties of [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane?
[(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane has a molecular weight of 562.47 g/mol, XLogP of 8.50, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3Z)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane is sourced from PubChem (CID 11307531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).