methyl (4R)-4-hydroxy-5-phenylselanylpentanoate

C12H16O3Se — CID 101347275

IUPACmethyl (4R)-4-hydroxy-5-phenylselanylpentanoate
SMILESCOC(=O)CC[C@@H](O)C[Se]c1ccccc1
InChIInChI=1S/C12H16O3Se/c1-15-12(14)8-7-10(13)9-16-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-/m1/s1
InChIKeyLPLIPQSFTBAIOD-SNVBAGLBSA-N
MW287.22 g/mol
LogP0.75
Rot. Bonds6

About methyl (4R)-4-hydroxy-5-phenylselanylpentanoate

methyl (4R)-4-hydroxy-5-phenylselanylpentanoate (PubChem CID 101347275) has the molecular formula C12H16O3Se and a molecular weight of 287.22 g/mol. Its IUPAC name is methyl (4R)-4-hydroxy-5-phenylselanylpentanoate.

Molecular Properties

Compound Namemethyl (4R)-4-hydroxy-5-phenylselanylpentanoate
PubChem CID101347275
Molecular FormulaC12H16O3Se
Molecular Weight287.22 g/mol
Exact Mass288.03
IUPAC Namemethyl (4R)-4-hydroxy-5-phenylselanylpentanoate
SMILESCOC(=O)CC[C@@H](O)C[Se]c1ccccc1
InChIInChI=1S/C12H16O3Se/c1-15-12(14)8-7-10(13)9-16-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-/m1/s1
InChIKeyLPLIPQSFTBAIOD-SNVBAGLBSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-hydroxy-3-oxo-8-phenylselanyloctanoate
CID 10959246
methyl 4-oxo-5-phenylselanylpentanoate
CID 13004959
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2S)-1-phenylselanyloctan-2-ol
CID 71415328
methyl 5,5-diphenylpentanoate
CID 10923549
acetic acid;chlorobenzene;dimethyl butanedioate
CID 174884752
(4S)-4-methyl-5-phenylselanylpentanoic acid
CID 59962587
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
4-methyl-5-phenylselanylpentanoic acid
CID 23379011
6-O-benzyl 1-O-methyl 3-hydroxyhexanedioate
CID 24978294
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
4-methyl-5-phenylselanylpentan-2-one
CID 87872805

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-hydroxy-5-phenylselanylpentanoate?
The IUPAC name of methyl (4R)-4-hydroxy-5-phenylselanylpentanoate (CID 101347275) is methyl (4R)-4-hydroxy-5-phenylselanylpentanoate.
What is the SMILES notation for methyl (4R)-4-hydroxy-5-phenylselanylpentanoate?
The canonical SMILES for methyl (4R)-4-hydroxy-5-phenylselanylpentanoate is COC(=O)CC[C@@H](O)C[Se]c1ccccc1.
What is the InChIKey of methyl (4R)-4-hydroxy-5-phenylselanylpentanoate?
The InChIKey is LPLIPQSFTBAIOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16O3Se/c1-15-12(14)8-7-10(13)9-16-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-/m1/s1.
What are the key properties of methyl (4R)-4-hydroxy-5-phenylselanylpentanoate?
methyl (4R)-4-hydroxy-5-phenylselanylpentanoate has a molecular weight of 287.22 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-hydroxy-5-phenylselanylpentanoate is sourced from PubChem (CID 101347275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).