ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate

C22H26O6Se2 — CID 56931322

IUPACethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccccc1[Se][Se]c1ccccc1O[C@H](C)C(=O)OCC
InChIInChI=1S/C22H26O6Se2/c1-5-25-21(23)15(3)27-17-11-7-9-13-19(17)29-30-20-14-10-8-12-18(20)28-16(4)22(24)26-6-2/h7-16H,5-6H2,1-4H3/t15-,16-/m1/s1
InChIKeySDHYNICUWLQEDQ-HZPDHXFCSA-N
MW544.36 g/mol
LogP1.62
Rot. Bonds11

About ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate

ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate (PubChem CID 56931322) has the molecular formula C22H26O6Se2 and a molecular weight of 544.36 g/mol. Its IUPAC name is ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
PubChem CID56931322
Molecular FormulaC22H26O6Se2
Molecular Weight544.36 g/mol
Exact Mass546.01
IUPAC Nameethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccccc1[Se][Se]c1ccccc1O[C@H](C)C(=O)OCC
InChIInChI=1S/C22H26O6Se2/c1-5-25-21(23)15(3)27-17-11-7-9-13-19(17)29-30-20-14-10-8-12-18(20)28-16(4)22(24)26-6-2/h7-16H,5-6H2,1-4H3/t15-,16-/m1/s1
InChIKeySDHYNICUWLQEDQ-HZPDHXFCSA-N
XLogP1.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate with MolForge

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Related Compounds

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ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
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propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
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methyl 2-(2-ethylphenoxy)propanoate
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CID 103337851

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate?
The IUPAC name of ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate (CID 56931322) is ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate.
What is the SMILES notation for ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate?
The canonical SMILES for ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate is CCOC(=O)[C@@H](C)Oc1ccccc1[Se][Se]c1ccccc1O[C@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate?
The InChIKey is SDHYNICUWLQEDQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H26O6Se2/c1-5-25-21(23)15(3)27-17-11-7-9-13-19(17)29-30-20-14-10-8-12-18(20)28-16(4)22(24)26-6-2/h7-16H,5-6H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate?
ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate has a molecular weight of 544.36 g/mol, XLogP of 1.62, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate is sourced from PubChem (CID 56931322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).