4-trimethylsilylbut-3-ynal

C7H12OSi — CID 71367313

IUPAC4-trimethylsilylbut-3-ynal
SMILESC[Si](C)(C)C#CCC=O
InChIInChI=1S/C7H12OSi/c1-9(2,3)7-5-4-6-8/h6H,4H2,1-3H3
InChIKeyRZTYOGSWPVNYPL-UHFFFAOYSA-N
MW140.26 g/mol
LogP1.46
Rot. Bonds1

About 4-trimethylsilylbut-3-ynal

4-trimethylsilylbut-3-ynal (PubChem CID 71367313) has the molecular formula C7H12OSi and a molecular weight of 140.26 g/mol. Its IUPAC name is 4-trimethylsilylbut-3-ynal.

Molecular Properties

Compound Name4-trimethylsilylbut-3-ynal
PubChem CID71367313
Molecular FormulaC7H12OSi
Molecular Weight140.26 g/mol
Exact Mass140.07
IUPAC Name4-trimethylsilylbut-3-ynal
SMILESC[Si](C)(C)C#CCC=O
InChIInChI=1S/C7H12OSi/c1-9(2,3)7-5-4-6-8/h6H,4H2,1-3H3
InChIKeyRZTYOGSWPVNYPL-UHFFFAOYSA-N
XLogP1.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.26
LogP ≤ 51.46
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 4-trimethylsilylbut-3-ynal?
The IUPAC name of 4-trimethylsilylbut-3-ynal (CID 71367313) is 4-trimethylsilylbut-3-ynal.
What is the SMILES notation for 4-trimethylsilylbut-3-ynal?
The canonical SMILES for 4-trimethylsilylbut-3-ynal is C[Si](C)(C)C#CCC=O.
What is the InChIKey of 4-trimethylsilylbut-3-ynal?
The InChIKey is RZTYOGSWPVNYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OSi/c1-9(2,3)7-5-4-6-8/h6H,4H2,1-3H3.
What are the key properties of 4-trimethylsilylbut-3-ynal?
4-trimethylsilylbut-3-ynal has a molecular weight of 140.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbut-3-ynal is sourced from PubChem (CID 71367313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).