benzyl 2-triphenylsilylacetate

C27H24O2Si — CID 134956777

IUPACbenzyl 2-triphenylsilylacetate
SMILESO=C(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C27H24O2Si/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyXUCIZDHWMPJIGC-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.90
Rot. Bonds7

About benzyl 2-triphenylsilylacetate

benzyl 2-triphenylsilylacetate (PubChem CID 134956777) has the molecular formula C27H24O2Si and a molecular weight of 408.57 g/mol. Its IUPAC name is benzyl 2-triphenylsilylacetate.

Molecular Properties

Compound Namebenzyl 2-triphenylsilylacetate
PubChem CID134956777
Molecular FormulaC27H24O2Si
Molecular Weight408.57 g/mol
Exact Mass408.15
IUPAC Namebenzyl 2-triphenylsilylacetate
SMILESO=C(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C27H24O2Si/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKeyXUCIZDHWMPJIGC-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

benzyl propanoate;hydrochloride
CID 140986165
benzyl 2-aminoacetate
CID 122130027
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-chloroacetate
CID 8786
benzyl 3,4-dimethylhexanoate
CID 123356915
CID 88730426
CID 88730426
benzyl 2-methylsulfanylacetate
CID 89146896
benzyl 3-hydroxybutanoate
CID 562226
benzyl acetate
CID 8785
benzyl N,N-dimethylcarbamate
CID 12963450
dibenzyl 4-oxoheptanedioate
CID 14639376

Frequently Asked Questions

What is the IUPAC name of benzyl 2-triphenylsilylacetate?
The IUPAC name of benzyl 2-triphenylsilylacetate (CID 134956777) is benzyl 2-triphenylsilylacetate.
What is the SMILES notation for benzyl 2-triphenylsilylacetate?
The canonical SMILES for benzyl 2-triphenylsilylacetate is O=C(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-triphenylsilylacetate?
The InChIKey is XUCIZDHWMPJIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2Si/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2.
What are the key properties of benzyl 2-triphenylsilylacetate?
benzyl 2-triphenylsilylacetate has a molecular weight of 408.57 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-triphenylsilylacetate is sourced from PubChem (CID 134956777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).