4-trimethylsilyloxyhex-2-ynal

C9H16O2Si — CID 87869285

IUPAC4-trimethylsilyloxyhex-2-ynal
SMILESCCC(C#CC=O)O[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-5-9(7-6-8-10)11-12(2,3)4/h8-9H,5H2,1-4H3
InChIKeyPCWCNYKKRGKZMX-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.82
Rot. Bonds3

About 4-trimethylsilyloxyhex-2-ynal

4-trimethylsilyloxyhex-2-ynal (PubChem CID 87869285) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is 4-trimethylsilyloxyhex-2-ynal.

Molecular Properties

Compound Name4-trimethylsilyloxyhex-2-ynal
PubChem CID87869285
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name4-trimethylsilyloxyhex-2-ynal
SMILESCCC(C#CC=O)O[Si](C)(C)C
InChIInChI=1S/C9H16O2Si/c1-5-9(7-6-8-10)11-12(2,3)4/h8-9H,5H2,1-4H3
InChIKeyPCWCNYKKRGKZMX-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.82
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-trimethylsilyloxyhex-2-ynal?
The IUPAC name of 4-trimethylsilyloxyhex-2-ynal (CID 87869285) is 4-trimethylsilyloxyhex-2-ynal.
What is the SMILES notation for 4-trimethylsilyloxyhex-2-ynal?
The canonical SMILES for 4-trimethylsilyloxyhex-2-ynal is CCC(C#CC=O)O[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyloxyhex-2-ynal?
The InChIKey is PCWCNYKKRGKZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-5-9(7-6-8-10)11-12(2,3)4/h8-9H,5H2,1-4H3.
What are the key properties of 4-trimethylsilyloxyhex-2-ynal?
4-trimethylsilyloxyhex-2-ynal has a molecular weight of 184.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxyhex-2-ynal is sourced from PubChem (CID 87869285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).