ethynyl-(3-iodopropyl)-dimethylsilane

C7H13ISi — CID 155971160

IUPACethynyl-(3-iodopropyl)-dimethylsilane
SMILESC#C[Si](C)(C)CCCI
InChIInChI=1S/C7H13ISi/c1-4-9(2,3)7-5-6-8/h1H,5-7H2,2-3H3
InChIKeyHPEVUCZINJAVPC-UHFFFAOYSA-N
MW252.17 g/mol
LogP2.69
Rot. Bonds3

About ethynyl-(3-iodopropyl)-dimethylsilane

ethynyl-(3-iodopropyl)-dimethylsilane (PubChem CID 155971160) has the molecular formula C7H13ISi and a molecular weight of 252.17 g/mol. Its IUPAC name is ethynyl-(3-iodopropyl)-dimethylsilane.

Molecular Properties

Compound Nameethynyl-(3-iodopropyl)-dimethylsilane
PubChem CID155971160
Molecular FormulaC7H13ISi
Molecular Weight252.17 g/mol
Exact Mass251.98
IUPAC Nameethynyl-(3-iodopropyl)-dimethylsilane
SMILESC#C[Si](C)(C)CCCI
InChIInChI=1S/C7H13ISi/c1-4-9(2,3)7-5-6-8/h1H,5-7H2,2-3H3
InChIKeyHPEVUCZINJAVPC-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of ethynyl-(3-iodopropyl)-dimethylsilane?
The IUPAC name of ethynyl-(3-iodopropyl)-dimethylsilane (CID 155971160) is ethynyl-(3-iodopropyl)-dimethylsilane.
What is the SMILES notation for ethynyl-(3-iodopropyl)-dimethylsilane?
The canonical SMILES for ethynyl-(3-iodopropyl)-dimethylsilane is C#C[Si](C)(C)CCCI.
What is the InChIKey of ethynyl-(3-iodopropyl)-dimethylsilane?
The InChIKey is HPEVUCZINJAVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ISi/c1-4-9(2,3)7-5-6-8/h1H,5-7H2,2-3H3.
What are the key properties of ethynyl-(3-iodopropyl)-dimethylsilane?
ethynyl-(3-iodopropyl)-dimethylsilane has a molecular weight of 252.17 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-(3-iodopropyl)-dimethylsilane is sourced from PubChem (CID 155971160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).