(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal

C28H32O2Si — CID 71605137

IUPAC(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
SMILESCC(C)(C)[Si](OCCC/C(C=O)=C\c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-21-13-16-25(23-29)22-24-14-7-4-8-15-24/h4-12,14-15,17-20,22-23H,13,16,21H2,1-3H3/b25-22+
InChIKeyJESYCACAOWCKGE-YYDJUVGSSA-N
MW428.65 g/mol
LogP5.63
Rot. Bonds9

About (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal

(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal (PubChem CID 71605137) has the molecular formula C28H32O2Si and a molecular weight of 428.65 g/mol. Its IUPAC name is (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal.

Molecular Properties

Compound Name(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
PubChem CID71605137
Molecular FormulaC28H32O2Si
Molecular Weight428.65 g/mol
Exact Mass428.22
IUPAC Name(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
SMILESCC(C)(C)[Si](OCCC/C(C=O)=C\c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-21-13-16-25(23-29)22-24-14-7-4-8-15-24/h4-12,14-15,17-20,22-23H,13,16,21H2,1-3H3/b25-22+
InChIKeyJESYCACAOWCKGE-YYDJUVGSSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.65
LogP ≤ 55.63
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'}

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Related Compounds

5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
CID 99772672
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride
CID 174145246
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal?
The IUPAC name of (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal (CID 71605137) is (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal.
What is the SMILES notation for (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal?
The canonical SMILES for (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal is CC(C)(C)[Si](OCCC/C(C=O)=C\c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal?
The InChIKey is JESYCACAOWCKGE-YYDJUVGSSA-N. The full InChI is InChI=1S/C28H32O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-21-13-16-25(23-29)22-24-14-7-4-8-15-24/h4-12,14-15,17-20,22-23H,13,16,21H2,1-3H3/b25-22+.
What are the key properties of (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal?
(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal has a molecular weight of 428.65 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal is sourced from PubChem (CID 71605137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).