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

C11H20O2Si — CID 18936558

IUPAC4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal
SMILESCC(C#CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h9-10H,1-6H3
InChIKeyBKUZDYQUMXUECI-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.60
Rot. Bonds2

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

4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal (PubChem CID 18936558) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal
PubChem CID18936558
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal
SMILESCC(C#CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h9-10H,1-6H3
InChIKeyBKUZDYQUMXUECI-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.60
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]oxypent-2-ynal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal (CID 18936558) is 4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal is CC(C#CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal?
The InChIKey is BKUZDYQUMXUECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-10(8-7-9-12)13-14(5,6)11(2,3)4/h9-10H,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal?
4-[tert-butyl(dimethyl)silyl]oxypent-2-ynal has a molecular weight of 212.36 g/mol, XLogP of 2.60, 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]oxypent-2-ynal is sourced from PubChem (CID 18936558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).