3-triethylsilylprop-2-ynal

C9H16OSi — CID 2760696

IUPAC3-triethylsilylprop-2-ynal
SMILESCC[Si](C#CC=O)(CC)CC
InChIInChI=1S/C9H16OSi/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-6H2,1-3H3
InChIKeyHUTHVHSZGNERMJ-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.24
Rot. Bonds3

About 3-triethylsilylprop-2-ynal

3-triethylsilylprop-2-ynal (PubChem CID 2760696) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 3-triethylsilylprop-2-ynal.

Molecular Properties

Compound Name3-triethylsilylprop-2-ynal
PubChem CID2760696
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name3-triethylsilylprop-2-ynal
SMILESCC[Si](C#CC=O)(CC)CC
InChIInChI=1S/C9H16OSi/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-6H2,1-3H3
InChIKeyHUTHVHSZGNERMJ-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-triethylsilylprop-2-ynal?
The IUPAC name of 3-triethylsilylprop-2-ynal (CID 2760696) is 3-triethylsilylprop-2-ynal.
What is the SMILES notation for 3-triethylsilylprop-2-ynal?
The canonical SMILES for 3-triethylsilylprop-2-ynal is CC[Si](C#CC=O)(CC)CC.
What is the InChIKey of 3-triethylsilylprop-2-ynal?
The InChIKey is HUTHVHSZGNERMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-4-11(5-2,6-3)9-7-8-10/h8H,4-6H2,1-3H3.
What are the key properties of 3-triethylsilylprop-2-ynal?
3-triethylsilylprop-2-ynal has a molecular weight of 168.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilylprop-2-ynal is sourced from PubChem (CID 2760696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).