(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal

C32H38O2Si — CID 15067574

IUPAC(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal
SMILESCC(C)(C)[Si](OCCCCCc1ccccc1/C=C/C=C/C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38O2Si/c1-32(2,3)35(30-22-10-4-11-23-30,31-24-12-5-13-25-31)34-27-17-7-9-19-29-21-15-14-20-28(29)18-8-6-16-26-33/h4-6,8,10-16,18,20-26H,7,9,17,19,27H2,1-3H3/b16-6+,18-8+
InChIKeyQKLSUTXEAINXEA-NCGXIBSESA-N
MW482.74 g/mol
LogP6.74
Rot. Bonds12

About (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal

(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal (PubChem CID 15067574) has the molecular formula C32H38O2Si and a molecular weight of 482.74 g/mol. Its IUPAC name is (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal
PubChem CID15067574
Molecular FormulaC32H38O2Si
Molecular Weight482.74 g/mol
Exact Mass482.26
IUPAC Name(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal
SMILESCC(C)(C)[Si](OCCCCCc1ccccc1/C=C/C=C/C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38O2Si/c1-32(2,3)35(30-22-10-4-11-23-30,31-24-12-5-13-25-31)34-27-17-7-9-19-29-21-15-14-20-28(29)18-8-6-16-26-33/h4-6,8,10-16,18,20-26H,7,9,17,19,27H2,1-3H3/b16-6+,18-8+
InChIKeyQKLSUTXEAINXEA-NCGXIBSESA-N
XLogP6.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.74
LogP ≤ 56.74
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal?
The IUPAC name of (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal (CID 15067574) is (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal.
What is the SMILES notation for (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal?
The canonical SMILES for (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal is CC(C)(C)[Si](OCCCCCc1ccccc1/C=C/C=C/C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal?
The InChIKey is QKLSUTXEAINXEA-NCGXIBSESA-N. The full InChI is InChI=1S/C32H38O2Si/c1-32(2,3)35(30-22-10-4-11-23-30,31-24-12-5-13-25-31)34-27-17-7-9-19-29-21-15-14-20-28(29)18-8-6-16-26-33/h4-6,8,10-16,18,20-26H,7,9,17,19,27H2,1-3H3/b16-6+,18-8+.
What are the key properties of (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal?
(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal has a molecular weight of 482.74 g/mol, XLogP of 6.74, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal is sourced from PubChem (CID 15067574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).