ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate

C22H42O5Si — CID 14332131

IUPACethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@@H](OC)[C@@H]1CCCCCCCO[Si](CC)(CC)CC
InChIInChI=1S/C22H42O5Si/c1-7-25-21(23)20-18(5)27-22(24-6)19(20)16-14-12-11-13-15-17-26-28(8-2,9-3)10-4/h19,22H,7-17H2,1-6H3/t19-,22-/m1/s1
InChIKeyVITQZPRPXNYXIS-DENIHFKCSA-N
MW414.66 g/mol
LogP5.80
Rot. Bonds15

About ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate

ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 14332131) has the molecular formula C22H42O5Si and a molecular weight of 414.66 g/mol. Its IUPAC name is ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID14332131
Molecular FormulaC22H42O5Si
Molecular Weight414.66 g/mol
Exact Mass414.28
IUPAC Nameethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@@H](OC)[C@@H]1CCCCCCCO[Si](CC)(CC)CC
InChIInChI=1S/C22H42O5Si/c1-7-25-21(23)20-18(5)27-22(24-6)19(20)16-14-12-11-13-15-17-26-28(8-2,9-3)10-4/h19,22H,7-17H2,1-6H3/t19-,22-/m1/s1
InChIKeyVITQZPRPXNYXIS-DENIHFKCSA-N
XLogP5.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.66
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate (CID 14332131) is ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)O[C@@H](OC)[C@@H]1CCCCCCCO[Si](CC)(CC)CC.
What is the InChIKey of ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is VITQZPRPXNYXIS-DENIHFKCSA-N. The full InChI is InChI=1S/C22H42O5Si/c1-7-25-21(23)20-18(5)27-22(24-6)19(20)16-14-12-11-13-15-17-26-28(8-2,9-3)10-4/h19,22H,7-17H2,1-6H3/t19-,22-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate?
ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 414.66 g/mol, XLogP of 5.80, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-methoxy-5-methyl-3-(7-triethylsilyloxyheptyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 14332131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).