benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate

C34H38O5Si2 — CID 140798878

IUPACbenzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate
SMILESC[Si](C)(O[Si](C)(C)c1ccc(CC(=O)OCc2ccccc2)cc1)c1ccc(CC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C34H38O5Si2/c1-40(2,31-19-15-27(16-20-31)23-33(35)37-25-29-11-7-5-8-12-29)39-41(3,4)32-21-17-28(18-22-32)24-34(36)38-26-30-13-9-6-10-14-30/h5-22H,23-26H2,1-4H3
InChIKeyRSRMDKSYUROZCW-UHFFFAOYSA-N
MW582.85 g/mol
LogP5.80
Rot. Bonds12

About benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate

benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate (PubChem CID 140798878) has the molecular formula C34H38O5Si2 and a molecular weight of 582.85 g/mol. Its IUPAC name is benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate
PubChem CID140798878
Molecular FormulaC34H38O5Si2
Molecular Weight582.85 g/mol
Exact Mass582.23
IUPAC Namebenzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate
SMILESC[Si](C)(O[Si](C)(C)c1ccc(CC(=O)OCc2ccccc2)cc1)c1ccc(CC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C34H38O5Si2/c1-40(2,31-19-15-27(16-20-31)23-33(35)37-25-29-11-7-5-8-12-29)39-41(3,4)32-21-17-28(18-22-32)24-34(36)38-26-30-13-9-6-10-14-30/h5-22H,23-26H2,1-4H3
InChIKeyRSRMDKSYUROZCW-UHFFFAOYSA-N
XLogP5.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.85
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-(4-acetylphenyl)acetate
CID 121231799
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
benzyl 2-(5-methylfuran-3-yl)acetate
CID 134443184
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
benzyl 2-triphenylsilylacetate
CID 134956777
benzyl 2-(3,4-dihydroxyphenyl)acetate
CID 155541666
ethyl 2-phenylacetate
CID 7590
benzyl 3-hydroxybutanoate
CID 562226
ethyl 2-phenylacetate;hydrate
CID 141257001
benzyl propanoate;hydrochloride
CID 140986165
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
CID 23737434

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate?
The IUPAC name of benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate (CID 140798878) is benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate.
What is the SMILES notation for benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate?
The canonical SMILES for benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate is C[Si](C)(O[Si](C)(C)c1ccc(CC(=O)OCc2ccccc2)cc1)c1ccc(CC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate?
The InChIKey is RSRMDKSYUROZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O5Si2/c1-40(2,31-19-15-27(16-20-31)23-33(35)37-25-29-11-7-5-8-12-29)39-41(3,4)32-21-17-28(18-22-32)24-34(36)38-26-30-13-9-6-10-14-30/h5-22H,23-26H2,1-4H3.
What are the key properties of benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate?
benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate has a molecular weight of 582.85 g/mol, XLogP of 5.80, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate is sourced from PubChem (CID 140798878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).