4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal

C12H22O2Si — CID 10889620

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal
SMILESCC(C)(C#CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-11(2,3)15(6,7)14-12(4,5)9-8-10-13/h10H,1-7H3
InChIKeyUBEKVUVZTLOFFJ-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.99
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal

4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal (PubChem CID 10889620) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal
PubChem CID10889620
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal
SMILESCC(C)(C#CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-11(2,3)15(6,7)14-12(4,5)9-8-10-13/h10H,1-7H3
InChIKeyUBEKVUVZTLOFFJ-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal (CID 10889620) is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal is CC(C)(C#CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal?
The InChIKey is UBEKVUVZTLOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-11(2,3)15(6,7)14-12(4,5)9-8-10-13/h10H,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal?
4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal has a molecular weight of 226.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal is sourced from PubChem (CID 10889620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).