(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal

C22H28O2Si — CID 11089492

IUPAC(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
SMILESCC(C)(C)[Si](OC/C=C/CCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h5-11,13-18H,4,12,19H2,1-3H3/b13-5+
InChIKeyBWWQDACQMYMXMJ-WLRTZDKTSA-N
MW352.55 g/mol
LogP4.10
Rot. Bonds8

About (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal

(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal (PubChem CID 11089492) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal.

Molecular Properties

Compound Name(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
PubChem CID11089492
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
SMILESCC(C)(C)[Si](OC/C=C/CCC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h5-11,13-18H,4,12,19H2,1-3H3/b13-5+
InChIKeyBWWQDACQMYMXMJ-WLRTZDKTSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal 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-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal?
The IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal (CID 11089492) is (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal.
What is the SMILES notation for (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal?
The canonical SMILES for (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal is CC(C)(C)[Si](OC/C=C/CCC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal?
The InChIKey is BWWQDACQMYMXMJ-WLRTZDKTSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-22(2,3)25(20-14-8-6-9-15-20,21-16-10-7-11-17-21)24-19-13-5-4-12-18-23/h5-11,13-18H,4,12,19H2,1-3H3/b13-5+.
What are the key properties of (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal?
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal has a molecular weight of 352.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal is sourced from PubChem (CID 11089492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).