3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal

C12H22O2Si — CID 10977196

IUPAC3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal
SMILESC=C=CC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h8,10-11H,1,9H2,2-6H3
InChIKeyKZGXKLUDJNPOJR-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.31
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal

3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal (PubChem CID 10977196) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal
PubChem CID10977196
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal
SMILESC=C=CC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h8,10-11H,1,9H2,2-6H3
InChIKeyKZGXKLUDJNPOJR-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.31
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal (CID 10977196) is 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal is C=C=CC(CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal?
The InChIKey is KZGXKLUDJNPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-8-11(9-10-13)14-15(5,6)12(2,3)4/h8,10-11H,1,9H2,2-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal?
3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal has a molecular weight of 226.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienal is sourced from PubChem (CID 10977196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).