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

C11H20O2Si — CID 14591859

IUPAC5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal
SMILESCC(C)(C)[Si](C)(C)OCCC#CC=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h9H,8,10H2,1-5H3
InChIKeyJRAGDQSEYMJYRC-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.60
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal

5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal (PubChem CID 14591859) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal
PubChem CID14591859
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal
SMILESCC(C)(C)[Si](C)(C)OCCC#CC=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h9H,8,10H2,1-5H3
InChIKeyJRAGDQSEYMJYRC-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', '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 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal (CID 14591859) is 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal is CC(C)(C)[Si](C)(C)OCCC#CC=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal?
The InChIKey is JRAGDQSEYMJYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h9H,8,10H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal?
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal has a molecular weight of 212.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypent-2-ynal is sourced from PubChem (CID 14591859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).