3-iodoprop-1-ynyl-dimethyl-phenylsilane

C11H13ISi — CID 164685330

IUPAC3-iodoprop-1-ynyl-dimethyl-phenylsilane
SMILESC[Si](C)(C#CCI)c1ccccc1
InChIInChI=1S/C11H13ISi/c1-13(2,10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,9H2,1-2H3
InChIKeyOKUXAUYXIWJQIW-UHFFFAOYSA-N
MW300.22 g/mol
LogP2.58
Rot. Bonds1

About 3-iodoprop-1-ynyl-dimethyl-phenylsilane

3-iodoprop-1-ynyl-dimethyl-phenylsilane (PubChem CID 164685330) has the molecular formula C11H13ISi and a molecular weight of 300.22 g/mol. Its IUPAC name is 3-iodoprop-1-ynyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name3-iodoprop-1-ynyl-dimethyl-phenylsilane
PubChem CID164685330
Molecular FormulaC11H13ISi
Molecular Weight300.22 g/mol
Exact Mass299.98
IUPAC Name3-iodoprop-1-ynyl-dimethyl-phenylsilane
SMILESC[Si](C)(C#CCI)c1ccccc1
InChIInChI=1S/C11H13ISi/c1-13(2,10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,9H2,1-2H3
InChIKeyOKUXAUYXIWJQIW-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 52.58
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxyprop-1-ynyl-dimethyl-phenylsilane
CID 140704450
3-[dimethyl(phenyl)silyl]prop-2-ynyl-diphenylphosphane
CID 132942765
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120
dimethyl-phenyl-[2-(3-prop-1-ynylphenyl)ethynyl]silane
CID 148629996
dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane
CID 102396235
2-[2-[dimethyl(phenyl)silyl]ethynyl]phenol
CID 132557656
N,N'-bis[dimethyl(phenyl)silyl]methanediimine
CID 100943539
[(2R)-6-[dimethyl(phenyl)silyl]-2-(hydroxymethyl)hex-5-ynyl] acetate
CID 11088040
dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
CID 102236944
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
fluoro-(fluoromethyl)-methyl-phenylsilane
CID 155657984
trans-(1R,2R)-2-[2-[dimethyl(phenyl)silyl]ethynyl]cyclopentan-1-ol
CID 10332087

Frequently Asked Questions

What is the IUPAC name of 3-iodoprop-1-ynyl-dimethyl-phenylsilane?
The IUPAC name of 3-iodoprop-1-ynyl-dimethyl-phenylsilane (CID 164685330) is 3-iodoprop-1-ynyl-dimethyl-phenylsilane.
What is the SMILES notation for 3-iodoprop-1-ynyl-dimethyl-phenylsilane?
The canonical SMILES for 3-iodoprop-1-ynyl-dimethyl-phenylsilane is C[Si](C)(C#CCI)c1ccccc1.
What is the InChIKey of 3-iodoprop-1-ynyl-dimethyl-phenylsilane?
The InChIKey is OKUXAUYXIWJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ISi/c1-13(2,10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,9H2,1-2H3.
What are the key properties of 3-iodoprop-1-ynyl-dimethyl-phenylsilane?
3-iodoprop-1-ynyl-dimethyl-phenylsilane has a molecular weight of 300.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoprop-1-ynyl-dimethyl-phenylsilane is sourced from PubChem (CID 164685330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).