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

C10H18O2Si — CID 11745632

IUPAC4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal
SMILESCC(C)(C)[Si](C)(C)OCC#CC=O
InChIInChI=1S/C10H18O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h8H,9H2,1-5H3
InChIKeyOYZMPVYSFZYTTP-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.21
Rot. Bonds2

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

4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal (PubChem CID 11745632) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal
PubChem CID11745632
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal
SMILESCC(C)(C)[Si](C)(C)OCC#CC=O
InChIInChI=1S/C10H18O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h8H,9H2,1-5H3
InChIKeyOYZMPVYSFZYTTP-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.21
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]oxybut-2-ynal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal (CID 11745632) is 4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal is CC(C)(C)[Si](C)(C)OCC#CC=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal?
The InChIKey is OYZMPVYSFZYTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h8H,9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal?
4-[tert-butyl(dimethyl)silyl]oxybut-2-ynal has a molecular weight of 198.34 g/mol, XLogP of 2.21, 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]oxybut-2-ynal is sourced from PubChem (CID 11745632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).