[(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol

C13H18O2Se — CID 134969367

IUPAC[(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol
SMILESC[C@@]1(C[Se]c2ccccc2)C[C@H](CO)CO1
InChIInChI=1S/C13H18O2Se/c1-13(7-11(8-14)9-15-13)10-16-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyAKUPOZOUKKEUIR-YPMHNXCESA-N
MW285.24 g/mol
LogP1.22
Rot. Bonds4

About [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol

[(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol (PubChem CID 134969367) has the molecular formula C13H18O2Se and a molecular weight of 285.24 g/mol. Its IUPAC name is [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol
PubChem CID134969367
Molecular FormulaC13H18O2Se
Molecular Weight285.24 g/mol
Exact Mass286.05
IUPAC Name[(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol
SMILESC[C@@]1(C[Se]c2ccccc2)C[C@H](CO)CO1
InChIInChI=1S/C13H18O2Se/c1-13(7-11(8-14)9-15-13)10-16-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyAKUPOZOUKKEUIR-YPMHNXCESA-N
XLogP1.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol?
The IUPAC name of [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol (CID 134969367) is [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol is C[C@@]1(C[Se]c2ccccc2)C[C@H](CO)CO1.
What is the InChIKey of [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol?
The InChIKey is AKUPOZOUKKEUIR-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18O2Se/c1-13(7-11(8-14)9-15-13)10-16-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol?
[(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol has a molecular weight of 285.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-methyl-5-(phenylselanylmethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 134969367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).