4-trimethylsilyloxypenta-2,4-dienal

C8H14O2Si — CID 72814736

IUPAC4-trimethylsilyloxypenta-2,4-dienal
SMILESC=C(C=CC=O)O[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-8(6-5-7-9)10-11(2,3)4/h5-7H,1H2,2-4H3
InChIKeyUPEOCOJRJCAIGO-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.11
Rot. Bonds4

About 4-trimethylsilyloxypenta-2,4-dienal

4-trimethylsilyloxypenta-2,4-dienal (PubChem CID 72814736) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-trimethylsilyloxypenta-2,4-dienal.

Molecular Properties

Compound Name4-trimethylsilyloxypenta-2,4-dienal
PubChem CID72814736
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name4-trimethylsilyloxypenta-2,4-dienal
SMILESC=C(C=CC=O)O[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-8(6-5-7-9)10-11(2,3)4/h5-7H,1H2,2-4H3
InChIKeyUPEOCOJRJCAIGO-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.11
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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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
(2E)-4-trimethylsilyloxypenta-2,4-dienal
CID 11355736
(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
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enal
CID 14185011
4-Tri(propan-2-yl)silyloxybut-2-enal
CID 85389821
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dideuteriobut-2-enal
CID 177230546
(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal
CID 14965789
(2E)-3-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
CID 101238268

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyloxypenta-2,4-dienal?
The IUPAC name of 4-trimethylsilyloxypenta-2,4-dienal (CID 72814736) is 4-trimethylsilyloxypenta-2,4-dienal.
What is the SMILES notation for 4-trimethylsilyloxypenta-2,4-dienal?
The canonical SMILES for 4-trimethylsilyloxypenta-2,4-dienal is C=C(C=CC=O)O[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilyloxypenta-2,4-dienal?
The InChIKey is UPEOCOJRJCAIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-8(6-5-7-9)10-11(2,3)4/h5-7H,1H2,2-4H3.
What are the key properties of 4-trimethylsilyloxypenta-2,4-dienal?
4-trimethylsilyloxypenta-2,4-dienal has a molecular weight of 170.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxypenta-2,4-dienal is sourced from PubChem (CID 72814736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).