[(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane

C9H18I2Si — CID 102065770

IUPAC[(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane
SMILESC/C(=C(/I)[Si](C)(C)C)C(C)CI
InChIInChI=1S/C9H18I2Si/c1-7(6-10)8(2)9(11)12(3,4)5/h7H,6H2,1-5H3/b9-8+
InChIKeyXSSNFEMWYZOAIC-CMDGGOBGSA-N
MW408.14 g/mol
LogP4.64
Rot. Bonds3

About [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane

[(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane (PubChem CID 102065770) has the molecular formula C9H18I2Si and a molecular weight of 408.14 g/mol. Its IUPAC name is [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane
PubChem CID102065770
Molecular FormulaC9H18I2Si
Molecular Weight408.14 g/mol
Exact Mass407.93
IUPAC Name[(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane
SMILESC/C(=C(/I)[Si](C)(C)C)C(C)CI
InChIInChI=1S/C9H18I2Si/c1-7(6-10)8(2)9(11)12(3,4)5/h7H,6H2,1-5H3/b9-8+
InChIKeyXSSNFEMWYZOAIC-CMDGGOBGSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(1Z,3Z)-1,4-diiodo-2,3-dimethyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane
CID 10695996
2,5-Diiodo-3,4-dimethyl-1,1-di(propan-2-yl)silole
CID 15423860
[(3R)-4-iodo-3-methyl-2-methylidenebutyl]-trimethylsilane
CID 101953096
[(Z)-1,4-diiodo-2-methylpent-1-enyl]-trimethylsilane
CID 102065771

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane?
The IUPAC name of [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane (CID 102065770) is [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane is C/C(=C(/I)[Si](C)(C)C)C(C)CI.
What is the InChIKey of [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane?
The InChIKey is XSSNFEMWYZOAIC-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18I2Si/c1-7(6-10)8(2)9(11)12(3,4)5/h7H,6H2,1-5H3/b9-8+.
What are the key properties of [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane?
[(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane has a molecular weight of 408.14 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,4-diiodo-2,3-dimethylbut-1-enyl]-trimethylsilane is sourced from PubChem (CID 102065770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).