(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal

C14H26O2Si — CID 134866852

IUPAC(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C=C/C=O
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h6-8,10,12H,9,11,13H2,1-5H3/b7-6+,10-8+
InChIKeyAWKRJRMPXDKSEZ-LQPGMRSMSA-N
MW254.45 g/mol
LogP4.10
Rot. Bonds7

About (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal

(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal (PubChem CID 134866852) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
PubChem CID134866852
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C=C/C=O
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h6-8,10,12H,9,11,13H2,1-5H3/b7-6+,10-8+
InChIKeyAWKRJRMPXDKSEZ-LQPGMRSMSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.10
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'}

Analyze (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal with MolForge

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Related Compounds

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(E)-3-methyl-6-triethylsilyloxyhex-2-enal
CID 101521914
(E)-7-(tert-butyldimethylsiloxy)-2-methylhept-2-enal
CID 11402629
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 11600961
(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 11287978
(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
CID 11140643
(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
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11715676
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
(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)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal?
The IUPAC name of (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal (CID 134866852) is (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal.
What is the SMILES notation for (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal?
The canonical SMILES for (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal is CC(C)(C)[Si](C)(C)OCCC/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal?
The InChIKey is AWKRJRMPXDKSEZ-LQPGMRSMSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h6-8,10,12H,9,11,13H2,1-5H3/b7-6+,10-8+.
What are the key properties of (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal?
(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal has a molecular weight of 254.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal is sourced from PubChem (CID 134866852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).