[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane

C13H24I2Si — CID 135010675

IUPAC[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane
SMILESCCCCC(/C(C)=C(/C)I)=C(/I)[Si](C)(C)C
InChIInChI=1S/C13H24I2Si/c1-7-8-9-12(10(2)11(3)14)13(15)16(4,5)6/h7-9H2,1-6H3/b11-10-,13-12+
InChIKeyVDMBXVDSUCKFJQ-JPYSRSMKSA-N
MW462.23 g/mol
LogP6.47
Rot. Bonds5

About [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane

[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane (PubChem CID 135010675) has the molecular formula C13H24I2Si and a molecular weight of 462.23 g/mol. Its IUPAC name is [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane
PubChem CID135010675
Molecular FormulaC13H24I2Si
Molecular Weight462.23 g/mol
Exact Mass461.97
IUPAC Name[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane
SMILESCCCCC(/C(C)=C(/C)I)=C(/I)[Si](C)(C)C
InChIInChI=1S/C13H24I2Si/c1-7-8-9-12(10(2)11(3)14)13(15)16(4,5)6/h7-9H2,1-6H3/b11-10-,13-12+
InChIKeyVDMBXVDSUCKFJQ-JPYSRSMKSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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
(3Z,5Z)-4-ethyl-3,6-diiodo-5-propylnona-3,5-diene
CID 15329312
[(1Z,3Z)-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 102328146
[(1Z,3Z)-2-butyl-1,4-diiodo-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 134888022
[(Z)-4-iodo-3-propylhept-3-enyl]-trimethylsilane
CID 134902255
[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
CID 135038847
[(Z)-iodo-[(2Z)-2-(1-iodoethylidene)cyclohexylidene]methyl]-trimethylsilane
CID 157856976
(2-Hexyl-1,4-diiododeca-1,3-dien-1-yl)(trimethyl)silane
CID 71362605
(3-Iodo-2-propylhex-2-en-1-yl)(trimethyl)silane
CID 71377005
(4-Iodo-2-methylcyclohexen-1-yl)methyl-trimethylsilane
CID 71814081
(Z)-5-iodo-6-[(Z)-3-iodobut-2-en-2-yl]dec-5-ene
CID 101112062
[(1Z,3Z)-3-butyl-1,4-diiodoocta-1,3-dienyl]-trimethylsilane
CID 101198044

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane?
The IUPAC name of [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane (CID 135010675) is [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane is CCCCC(/C(C)=C(/C)I)=C(/I)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane?
The InChIKey is VDMBXVDSUCKFJQ-JPYSRSMKSA-N. The full InChI is InChI=1S/C13H24I2Si/c1-7-8-9-12(10(2)11(3)14)13(15)16(4,5)6/h7-9H2,1-6H3/b11-10-,13-12+.
What are the key properties of [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane?
[(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane has a molecular weight of 462.23 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-iodo-2-[(Z)-3-iodobut-2-en-2-yl]hex-1-enyl]-trimethylsilane is sourced from PubChem (CID 135010675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).