ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate

C22H34O6Si — CID 102389723

IUPACethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate
SMILESCCOC(=O)C1=C(OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C22H34O6Si/c1-9-26-21(23)18-19(15-10-12-16(24-5)13-11-15)28-17(20(18)25-6)14-27-29(7,8)22(2,3)4/h10-13,17,19H,9,14H2,1-8H3/t17-,19+/m1/s1
InChIKeyLLIGOZQFOJKKBU-MJGOQNOKSA-N
MW422.59 g/mol
LogP4.62
Rot. Bonds8

About ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate

ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate (PubChem CID 102389723) has the molecular formula C22H34O6Si and a molecular weight of 422.59 g/mol. Its IUPAC name is ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate
PubChem CID102389723
Molecular FormulaC22H34O6Si
Molecular Weight422.59 g/mol
Exact Mass422.21
IUPAC Nameethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate
SMILESCCOC(=O)C1=C(OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C22H34O6Si/c1-9-26-21(23)18-19(15-10-12-16(24-5)13-11-15)28-17(20(18)25-6)14-27-29(7,8)22(2,3)4/h10-13,17,19H,9,14H2,1-8H3/t17-,19+/m1/s1
InChIKeyLLIGOZQFOJKKBU-MJGOQNOKSA-N
XLogP4.62
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-3-yl] carbamate
CID 101107113
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
CID 131747122
[(2R,3R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(4-methoxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102420199
ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 132547002
diethyl (4S)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7073063
ethyl 5-[4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclohexyl]oxy-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 162009726
ethyl (2R,3R)-3-(4-methoxyphenyl)-5-methyl-2-nitro-2,3-dihydrofuran-4-carboxylate
CID 53259142
ethyl 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-cyanopyrrole-2-carboxylate
CID 10738453
ethyl (4R)-4-(4-methoxyphenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate
CID 6936940
ethyl 4,6-bis(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864538

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate?
The IUPAC name of ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate (CID 102389723) is ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate.
What is the SMILES notation for ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate?
The canonical SMILES for ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate is CCOC(=O)C1=C(OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1c1ccc(OC)cc1.
What is the InChIKey of ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate?
The InChIKey is LLIGOZQFOJKKBU-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H34O6Si/c1-9-26-21(23)18-19(15-10-12-16(24-5)13-11-15)28-17(20(18)25-6)14-27-29(7,8)22(2,3)4/h10-13,17,19H,9,14H2,1-8H3/t17-,19+/m1/s1.
What are the key properties of ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate?
ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate has a molecular weight of 422.59 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxylate is sourced from PubChem (CID 102389723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).