[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane

C22H43I3Si4 — CID 162004534

IUPAC[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
SMILESC/C(C#C[Si](C)(C)C)=C(/I)[Si](C)(C)C.CC(/C=C(\I)[Si](C)(C)C)=C(/I)[Si](C)(C)C
InChIInChI=1S/C11H22I2Si2.C11H21ISi2/c1-9(11(13)15(5,6)7)8-10(12)14(2,3)4;1-10(8-9-13(2,3)4)11(12)14(5,6)7/h8H,1-7H3;1-7H3/b10-8+,11-9+;11-10+
InChIKeyYSQPDVROBLSBLW-LCSLZCAASA-N
MW800.64 g/mol
LogP10.22
Rot. Bonds4

About [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane

[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane (PubChem CID 162004534) has the molecular formula C22H43I3Si4 and a molecular weight of 800.64 g/mol. Its IUPAC name is [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
PubChem CID162004534
Molecular FormulaC22H43I3Si4
Molecular Weight800.64 g/mol
Exact Mass799.96
IUPAC Name[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
SMILESC/C(C#C[Si](C)(C)C)=C(/I)[Si](C)(C)C.CC(/C=C(\I)[Si](C)(C)C)=C(/I)[Si](C)(C)C
InChIInChI=1S/C11H22I2Si2.C11H21ISi2/c1-9(11(13)15(5,6)7)8-10(12)14(2,3)4;1-10(8-9-13(2,3)4)11(12)14(5,6)7/h8H,1-7H3;1-7H3/b10-8+,11-9+;11-10+
InChIKeyYSQPDVROBLSBLW-LCSLZCAASA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.64
LogP ≤ 510.22
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane with MolForge

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Related Compounds

[3,4-Dimethylidene-6-tri(propan-2-yl)silylhexa-1,5-diynyl]-tri(propan-2-yl)silane
CID 10835624
trimethyl-[(3Z,4Z)-6-trimethylsilyl-3,4-bis(trimethylsilylmethylidene)hexa-1,5-diynyl]silane
CID 11429239
[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
CID 57572890
(1,4-Diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl)-trimethylsilane
CID 76569429
[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane
CID 158443520
[(1E,3Z)-3,4-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)buta-1,3-dienyl]-trimethylsilane
CID 11187732
[3,6-Bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane
CID 11828192
trimethyl-[(3E,4Z)-6-trimethylsilyl-3,4-bis(trimethylsilylmethylidene)hexa-1,5-diynyl]silane
CID 177606443

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The IUPAC name of [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane (CID 162004534) is [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane.
What is the SMILES notation for [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The canonical SMILES for [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane is C/C(C#C[Si](C)(C)C)=C(/I)[Si](C)(C)C.CC(/C=C(\I)[Si](C)(C)C)=C(/I)[Si](C)(C)C.
What is the InChIKey of [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The InChIKey is YSQPDVROBLSBLW-LCSLZCAASA-N. The full InChI is InChI=1S/C11H22I2Si2.C11H21ISi2/c1-9(11(13)15(5,6)7)8-10(12)14(2,3)4;1-10(8-9-13(2,3)4)11(12)14(5,6)7/h8H,1-7H3;1-7H3/b10-8+,11-9+;11-10+.
What are the key properties of [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane has a molecular weight of 800.64 g/mol, XLogP of 10.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane is sourced from PubChem (CID 162004534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).