5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one

C23H28O4Si — CID 25008944

IUPAC5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one
SMILESCOC1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C23H28O4Si/c1-22(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)26-18-17-23(25-4)16-15-21(24)27-23/h5-16H,17-18H2,1-4H3
InChIKeyIPGHEVQCIVJCEB-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.41
Rot. Bonds7

About 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one

5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one (PubChem CID 25008944) has the molecular formula C23H28O4Si and a molecular weight of 396.56 g/mol. Its IUPAC name is 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one
PubChem CID25008944
Molecular FormulaC23H28O4Si
Molecular Weight396.56 g/mol
Exact Mass396.18
IUPAC Name5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one
SMILESCOC1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C23H28O4Si/c1-22(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)26-18-17-23(25-4)16-15-21(24)27-23/h5-16H,17-18H2,1-4H3
InChIKeyIPGHEVQCIVJCEB-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-, (S)-
CID 10991787
ethyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enoate
CID 44134231
[3-[3-[Tert-butyl(diphenyl)silyl]oxypropyl]-1-methoxy-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 10838384
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10883073
ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate
CID 11166530
[4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 134982043
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one
CID 10991789
ethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
CID 11417698
methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
CID 11726542
(Diphenylsilylene)bis(oxy-2,1-ethanediyl) bismethacrylate
CID 87093
(e)-Ethyl 4-(tert-butyldiphenylsilanyloxy)-2-fluoro-2-butenoate
CID 10643894
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
CID 12097657

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one?
The IUPAC name of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one (CID 25008944) is 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one.
What is the SMILES notation for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one?
The canonical SMILES for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one is COC1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CC(=O)O1.
What is the InChIKey of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one?
The InChIKey is IPGHEVQCIVJCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4Si/c1-22(2,3)28(19-11-7-5-8-12-19,20-13-9-6-10-14-20)26-18-17-23(25-4)16-15-21(24)27-23/h5-16H,17-18H2,1-4H3.
What are the key properties of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one?
5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one has a molecular weight of 396.56 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-methoxyfuran-2-one is sourced from PubChem (CID 25008944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).