(2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal

C11H20O2Si — CID 134893398

IUPAC(2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)O/C=C/C=C/C=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-10H,1-5H3/b7-6+,10-8+
InChIKeyPEPYGVNCENWUOQ-LQPGMRSMSA-N
MW212.37 g/mol
LogP3.28
Rot. Bonds4

About (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal

(2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal (PubChem CID 134893398) has the molecular formula C11H20O2Si and a molecular weight of 212.37 g/mol. Its IUPAC name is (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
PubChem CID134893398
Molecular FormulaC11H20O2Si
Molecular Weight212.37 g/mol
Exact Mass212.12
IUPAC Name(2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)O/C=C/C=C/C=O
InChIInChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-10H,1-5H3/b7-6+,10-8+
InChIKeyPEPYGVNCENWUOQ-LQPGMRSMSA-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 ≤ 500212.37
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'}

Analyze (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-((tert-Butyldimethylsilyl)oxy)but-2-enal
CID 10536054
(E)-4-tri(propan-2-yl)silyloxybut-2-enal
CID 11075638
4-{[tert-Butyl(dimethyl)silyl]oxy}but-2-enal
CID 71340532
(Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal
CID 11622522
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11715676
(2E)-4-triethylsilyloxypenta-2,4-dienal
CID 101234174
(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
CID 101234175
(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal
CID 101234176
(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 134866852
(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal
CID 134880868
(E)-4-[dimethyl(prop-2-enyl)silyl]but-2-enal
CID 101431476
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enal
CID 14185011

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal?
The IUPAC name of (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal (CID 134893398) is (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal.
What is the SMILES notation for (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal?
The canonical SMILES for (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal is CC(C)(C)[Si](C)(C)O/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal?
The InChIKey is PEPYGVNCENWUOQ-LQPGMRSMSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6-10H,1-5H3/b7-6+,10-8+.
What are the key properties of (2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal?
(2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal has a molecular weight of 212.37 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,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal is sourced from PubChem (CID 134893398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).