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

C18H36ClISi2 — CID 102186083

IUPAC[(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
SMILESCCCCC(/C(CCCC)=C(\I)[Si](C)(C)C)=C(/Cl)[Si](C)(C)C
InChIInChI=1S/C18H36ClISi2/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+
InChIKeyCXILRQUNJXMWJA-YTEMWHBBSA-N
MW471.02 g/mol
LogP8.30
Rot. Bonds9

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

[(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane (PubChem CID 102186083) has the molecular formula C18H36ClISi2 and a molecular weight of 471.02 g/mol. Its IUPAC name is [(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
PubChem CID102186083
Molecular FormulaC18H36ClISi2
Molecular Weight471.02 g/mol
Exact Mass470.11
IUPAC Name[(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
SMILESCCCCC(/C(CCCC)=C(\I)[Si](C)(C)C)=C(/Cl)[Si](C)(C)C
InChIInChI=1S/C18H36ClISi2/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+
InChIKeyCXILRQUNJXMWJA-YTEMWHBBSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 58.30
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)-2-butyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane
CID 11307531
[(Z,3Z)-2-hexyl-1-iodo-3-[iodo(trimethylsilyl)methylidene]non-1-enyl]-trimethylsilane
CID 11169501
[(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,3E)-2-butyl-1-chloro-3-(trimethylsilylmethylidene)hept-1-enyl]-trimethylsilane
CID 102186082
[(E)-1-iodo-2-[(Z)-2-iodo-2-trimethylsilylethenyl]oct-1-enyl]-trimethylsilane
CID 177449351
lithium [(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 177474800
[(E)-1-chloro-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 177474801
[(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-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane?
The IUPAC name of [(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane (CID 102186083) is [(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane is CCCCC(/C(CCCC)=C(\I)[Si](C)(C)C)=C(/Cl)[Si](C)(C)C.
What is the InChIKey of [(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane?
The InChIKey is CXILRQUNJXMWJA-YTEMWHBBSA-N. The full InChI is InChI=1S/C18H36ClISi2/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-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane?
[(Z,3Z)-2-butyl-1-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane has a molecular weight of 471.02 g/mol, XLogP of 8.30, 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-chloro-3-[iodo(trimethylsilyl)methylidene]hept-1-enyl]-trimethylsilane is sourced from PubChem (CID 102186083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).