(4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one

C17H16O3Se — CID 102267280

IUPAC(4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one
SMILESO=C1OCC[C@H]([C@@H]([Se]c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C17H16O3Se/c18-17-19-12-11-15(20-17)16(13-7-3-1-4-8-13)21-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyRINYTAFRFOUWQB-CVEARBPZSA-N
MW347.27 g/mol
LogP2.68
Rot. Bonds4

About (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one

(4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one (PubChem CID 102267280) has the molecular formula C17H16O3Se and a molecular weight of 347.27 g/mol. Its IUPAC name is (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one.

Molecular Properties

Compound Name(4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one
PubChem CID102267280
Molecular FormulaC17H16O3Se
Molecular Weight347.27 g/mol
Exact Mass348.03
IUPAC Name(4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one
SMILESO=C1OCC[C@H]([C@@H]([Se]c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C17H16O3Se/c18-17-19-12-11-15(20-17)16(13-7-3-1-4-8-13)21-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyRINYTAFRFOUWQB-CVEARBPZSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one?
The IUPAC name of (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one (CID 102267280) is (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one.
What is the SMILES notation for (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one?
The canonical SMILES for (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one is O=C1OCC[C@H]([C@@H]([Se]c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one?
The InChIKey is RINYTAFRFOUWQB-CVEARBPZSA-N. The full InChI is InChI=1S/C17H16O3Se/c18-17-19-12-11-15(20-17)16(13-7-3-1-4-8-13)21-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+/m1/s1.
What are the key properties of (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one?
(4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one has a molecular weight of 347.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one is sourced from PubChem (CID 102267280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).