[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane

C23H48I2Si4 — CID 158443520

IUPAC[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane
SMILESC.C#C[Si](C)(C)C.CC#C[Si](C)(C)C.CC(/C=C(\I)[Si](C)(C)C)=C(/I)[Si](C)(C)C
InChIInChI=1S/C11H22I2Si2.C6H12Si.C5H10Si.CH4/c1-9(11(13)15(5,6)7)8-10(12)14(2,3)4;1-5-6-7(2,3)4;1-5-6(2,3)4;/h8H,1-7H3;1-4H3;1H,2-4H3;1H4/b10-8+,11-9+;;;
InChIKeyHDCLCBMPYAGGOE-KYGRDRMQSA-N
MW690.79 g/mol
LogP9.79
Rot. Bonds3

About [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane

[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane (PubChem CID 158443520) has the molecular formula C23H48I2Si4 and a molecular weight of 690.79 g/mol. Its IUPAC name is [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane.

Molecular Properties

Compound Name[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane
PubChem CID158443520
Molecular FormulaC23H48I2Si4
Molecular Weight690.79 g/mol
Exact Mass690.09
IUPAC Name[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane
SMILESC.C#C[Si](C)(C)C.CC#C[Si](C)(C)C.CC(/C=C(\I)[Si](C)(C)C)=C(/I)[Si](C)(C)C
InChIInChI=1S/C11H22I2Si2.C6H12Si.C5H10Si.CH4/c1-9(11(13)15(5,6)7)8-10(12)14(2,3)4;1-5-6-7(2,3)4;1-5-6(2,3)4;/h8H,1-7H3;1-4H3;1H,2-4H3;1H4/b10-8+,11-9+;;;
InChIKeyHDCLCBMPYAGGOE-KYGRDRMQSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.79
LogP ≤ 59.79
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;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
CID 162004534

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane?
The IUPAC name of [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane (CID 158443520) is [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane.
What is the SMILES notation for [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane?
The canonical SMILES for [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane is C.C#C[Si](C)(C)C.CC#C[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;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane?
The InChIKey is HDCLCBMPYAGGOE-KYGRDRMQSA-N. The full InChI is InChI=1S/C11H22I2Si2.C6H12Si.C5H10Si.CH4/c1-9(11(13)15(5,6)7)8-10(12)14(2,3)4;1-5-6-7(2,3)4;1-5-6(2,3)4;/h8H,1-7H3;1-4H3;1H,2-4H3;1H4/b10-8+,11-9+;;;.
What are the key properties of [(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane?
[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane has a molecular weight of 690.79 g/mol, XLogP of 9.79, 3 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;ethynyl(trimethyl)silane;methane;trimethyl(prop-1-ynyl)silane is sourced from PubChem (CID 158443520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).