2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane

C13H17ISi — CID 141195498

IUPAC2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane
SMILESCc1cc(C#C[Si](C)(C)C)cc(C)c1I
InChIInChI=1S/C13H17ISi/c1-10-8-12(6-7-15(3,4)5)9-11(2)13(10)14/h8-9H,1-5H3
InChIKeyOOAFRINAAAUEBN-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.14
Rot. Bonds

About 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane

2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane (PubChem CID 141195498) has the molecular formula C13H17ISi and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane
PubChem CID141195498
Molecular FormulaC13H17ISi
Molecular Weight328.27 g/mol
Exact Mass328.01
IUPAC Name2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane
SMILESCc1cc(C#C[Si](C)(C)C)cc(C)c1I
InChIInChI=1S/C13H17ISi/c1-10-8-12(6-7-15(3,4)5)9-11(2)13(10)14/h8-9H,1-5H3
InChIKeyOOAFRINAAAUEBN-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.14
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
CID 11617909
3-iodo-5-(2-trimethylsilylethynyl)benzonitrile
CID 10616011
3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
CID 168866506
2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
CID 11715152
2-[4-[2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl]-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
CID 11613893
3-methyl-5-(2-trimethylsilylethynyl)phenol
CID 132839021
S-[4-[2-[2,6-dimethyl-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl] ethanethioate
CID 101497381
3,5-bis(2-trimethylsilylethynyl)benzaldehyde
CID 10469998
4-(2-trimethylsilylethynyl)phenol
CID 10750210
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
trimethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]silane
CID 59217971

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane (CID 141195498) is 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane is Cc1cc(C#C[Si](C)(C)C)cc(C)c1I.
What is the InChIKey of 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane?
The InChIKey is OOAFRINAAAUEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ISi/c1-10-8-12(6-7-15(3,4)5)9-11(2)13(10)14/h8-9H,1-5H3.
What are the key properties of 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane?
2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane has a molecular weight of 328.27 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 141195498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).