(2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal

C11H20O2Si — CID 101238268

IUPAC(2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
SMILESC=C/C(=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h7-9H,1H2,2-6H3/b10-8+
InChIKeyIJSKOOHHKBUNBX-CSKARUKUSA-N
MW212.36 g/mol
LogP3.28
Rot. Bonds4

About (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal

(2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal (PubChem CID 101238268) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal.

Molecular Properties

Compound Name(2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
PubChem CID101238268
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
SMILESC=C/C(=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h7-9H,1H2,2-6H3/b10-8+
InChIKeyIJSKOOHHKBUNBX-CSKARUKUSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal?
The IUPAC name of (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal (CID 101238268) is (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal.
What is the SMILES notation for (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal?
The canonical SMILES for (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal is C=C/C(=C\C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal?
The InChIKey is IJSKOOHHKBUNBX-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h7-9H,1H2,2-6H3/b10-8+.
What are the key properties of (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal?
(2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal has a molecular weight of 212.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal is sourced from PubChem (CID 101238268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).