(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal

C13H24O2Si — CID 11715676

IUPAC(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/C=C/C=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6-9,11H,10,12H2,1-5H3/b8-6+,9-7+
InChIKeyZWAOMTIHTWSRBN-CDJQDVQCSA-N
MW240.42 g/mol
LogP3.71
Rot. Bonds6

About (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal

(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal (PubChem CID 11715676) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
PubChem CID11715676
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)OCC/C=C/C=C/C=O
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6-9,11H,10,12H2,1-5H3/b8-6+,9-7+
InChIKeyZWAOMTIHTWSRBN-CDJQDVQCSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
CID 10910861
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 11600961
(Z)-2-fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 20063409
2-Fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 54231229
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal
CID 88472264
(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal
CID 11172899
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11206942
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal
CID 11499590
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enal
CID 11665784
(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,4-dienal
CID 44254364

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal?
The IUPAC name of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal (CID 11715676) is (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal.
What is the SMILES notation for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal?
The canonical SMILES for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal is CC(C)(C)[Si](C)(C)OCC/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal?
The InChIKey is ZWAOMTIHTWSRBN-CDJQDVQCSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6-9,11H,10,12H2,1-5H3/b8-6+,9-7+.
What are the key properties of (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal?
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal has a molecular weight of 240.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal is sourced from PubChem (CID 11715676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).