2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane

C17H25ISi — CID 11617909

IUPAC2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
SMILESCC(C)c1cc(C#C[Si](C)(C)C)cc(C(C)C)c1I
InChIInChI=1S/C17H25ISi/c1-12(2)15-10-14(8-9-19(5,6)7)11-16(13(3)4)17(15)18/h10-13H,1-7H3
InChIKeyGMCATOOHNZLMEZ-UHFFFAOYSA-N
MW384.38 g/mol
LogP5.77
Rot. Bonds2

About 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane

2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane (PubChem CID 11617909) has the molecular formula C17H25ISi and a molecular weight of 384.38 g/mol. Its IUPAC name is 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
PubChem CID11617909
Molecular FormulaC17H25ISi
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC Name2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane
SMILESCC(C)c1cc(C#C[Si](C)(C)C)cc(C(C)C)c1I
InChIInChI=1S/C17H25ISi/c1-12(2)15-10-14(8-9-19(5,6)7)11-16(13(3)4)17(15)18/h10-13H,1-7H3
InChIKeyGMCATOOHNZLMEZ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.38
LogP ≤ 55.77
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-[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
2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane
CID 141195498
3-iodo-5-(2-trimethylsilylethynyl)benzonitrile
CID 10616011
trimethyl-[2-(4-propan-2-ylphenyl)ethynyl]silane
CID 23390603
2-[4-iodo-3,5-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 122390862
trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 15312832
3,5-bis(2-trimethylsilylethynyl)benzaldehyde
CID 10469998
4-(2-trimethylsilylethynyl)phenol
CID 10750210
3-methyl-5-(2-trimethylsilylethynyl)phenol
CID 132839021
trimethyl(2-naphthalen-2-ylethynyl)silane
CID 12579656
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653

Frequently Asked Questions

What is the IUPAC name of 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane (CID 11617909) is 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane is CC(C)c1cc(C#C[Si](C)(C)C)cc(C(C)C)c1I.
What is the InChIKey of 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane?
The InChIKey is GMCATOOHNZLMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ISi/c1-12(2)15-10-14(8-9-19(5,6)7)11-16(13(3)4)17(15)18/h10-13H,1-7H3.
What are the key properties of 2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane?
2-[4-iodo-3,5-di(propan-2-yl)phenyl]ethynyl-trimethylsilane has a molecular weight of 384.38 g/mol, XLogP of 5.77, 2 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-di(propan-2-yl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 11617909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).