(2R)-2-[(1S)-1-phenylselanylethyl]oxolane

C12H16OSe — CID 102417969

IUPAC(2R)-2-[(1S)-1-phenylselanylethyl]oxolane
SMILESC[C@H]([Se]c1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C12H16OSe/c1-10(12-8-5-9-13-12)14-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3/t10-,12+/m0/s1
InChIKeyPEYIPXRLUVDUIX-CMPLNLGQSA-N
MW255.22 g/mol
LogP2.00
Rot. Bonds3

About (2R)-2-[(1S)-1-phenylselanylethyl]oxolane

(2R)-2-[(1S)-1-phenylselanylethyl]oxolane (PubChem CID 102417969) has the molecular formula C12H16OSe and a molecular weight of 255.22 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-phenylselanylethyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-phenylselanylethyl]oxolane
PubChem CID102417969
Molecular FormulaC12H16OSe
Molecular Weight255.22 g/mol
Exact Mass256.04
IUPAC Name(2R)-2-[(1S)-1-phenylselanylethyl]oxolane
SMILESC[C@H]([Se]c1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C12H16OSe/c1-10(12-8-5-9-13-12)14-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3/t10-,12+/m0/s1
InChIKeyPEYIPXRLUVDUIX-CMPLNLGQSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R)-2-[(1S)-1-phenylselanylethyl]oxolane?
The IUPAC name of (2R)-2-[(1S)-1-phenylselanylethyl]oxolane (CID 102417969) is (2R)-2-[(1S)-1-phenylselanylethyl]oxolane.
What is the SMILES notation for (2R)-2-[(1S)-1-phenylselanylethyl]oxolane?
The canonical SMILES for (2R)-2-[(1S)-1-phenylselanylethyl]oxolane is C[C@H]([Se]c1ccccc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[(1S)-1-phenylselanylethyl]oxolane?
The InChIKey is PEYIPXRLUVDUIX-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16OSe/c1-10(12-8-5-9-13-12)14-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3/t10-,12+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1-phenylselanylethyl]oxolane?
(2R)-2-[(1S)-1-phenylselanylethyl]oxolane has a molecular weight of 255.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-phenylselanylethyl]oxolane is sourced from PubChem (CID 102417969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).