2-benzyl-3-triethylsilyloxypropanal

C16H26O2Si — CID 10967868

IUPAC2-benzyl-3-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)OCC(C=O)Cc1ccccc1
InChIInChI=1S/C16H26O2Si/c1-4-19(5-2,6-3)18-14-16(13-17)12-15-10-8-7-9-11-15/h7-11,13,16H,4-6,12,14H2,1-3H3
InChIKeyQJKPIHQCQUQPLP-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.07
Rot. Bonds9

About 2-benzyl-3-triethylsilyloxypropanal

2-benzyl-3-triethylsilyloxypropanal (PubChem CID 10967868) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 2-benzyl-3-triethylsilyloxypropanal.

Molecular Properties

Compound Name2-benzyl-3-triethylsilyloxypropanal
PubChem CID10967868
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name2-benzyl-3-triethylsilyloxypropanal
SMILESCC[Si](CC)(CC)OCC(C=O)Cc1ccccc1
InChIInChI=1S/C16H26O2Si/c1-4-19(5-2,6-3)18-14-16(13-17)12-15-10-8-7-9-11-15/h7-11,13,16H,4-6,12,14H2,1-3H3
InChIKeyQJKPIHQCQUQPLP-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Hydrocinnamic acid, trimethylsilyl ester
CID 519856
3-(tert-Butyldimethylsilyloxy)-2-benzylpropanal
CID 10850249
4-[Tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-one
CID 10956840
tert-Butyl(dimethyl)silyl 3-phenylpropanoate
CID 554838
Ethyl 3-benzyl-3-[fluoro(dimethyl)silyl]pentanoate
CID 135000507
Nnpuiqscprgllk-cqszacivsa-
CID 10955923
3-[Dimethyl(phenyl)silyl]-3-phenylpropanal
CID 11459872
Ethyl 3-phenyl-3-trimethylsilylpropanoate
CID 12506544
Methyl 2,2-dimethyl-5-phenyl-3-trimethylsilyloxypentanoate
CID 9901224
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enal
CID 10980092
2-{Phenyl[(trimethylsilyl)oxy]methyl}cyclohexan-1-one
CID 12602088
2-Phenyl-3-trimethylsilylpropanal
CID 13230450

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-triethylsilyloxypropanal?
The IUPAC name of 2-benzyl-3-triethylsilyloxypropanal (CID 10967868) is 2-benzyl-3-triethylsilyloxypropanal.
What is the SMILES notation for 2-benzyl-3-triethylsilyloxypropanal?
The canonical SMILES for 2-benzyl-3-triethylsilyloxypropanal is CC[Si](CC)(CC)OCC(C=O)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-triethylsilyloxypropanal?
The InChIKey is QJKPIHQCQUQPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-4-19(5-2,6-3)18-14-16(13-17)12-15-10-8-7-9-11-15/h7-11,13,16H,4-6,12,14H2,1-3H3.
What are the key properties of 2-benzyl-3-triethylsilyloxypropanal?
2-benzyl-3-triethylsilyloxypropanal has a molecular weight of 278.47 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-triethylsilyloxypropanal is sourced from PubChem (CID 10967868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).