(2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane

C12H16OSe — CID 71355561

IUPAC(2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane
SMILESC[C@H]1CC[C@@H](C[Se]c2ccccc2)O1
InChIInChI=1S/C12H16OSe/c1-10-7-8-11(13-10)9-14-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyHEZGPNCADCTNQG-QWRGUYRKSA-N
MW255.22 g/mol
LogP2.00
Rot. Bonds3

About (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane

(2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane (PubChem CID 71355561) has the molecular formula C12H16OSe and a molecular weight of 255.22 g/mol. Its IUPAC name is (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane.

Molecular Properties

Compound Name(2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane
PubChem CID71355561
Molecular FormulaC12H16OSe
Molecular Weight255.22 g/mol
Exact Mass256.04
IUPAC Name(2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane
SMILESC[C@H]1CC[C@@H](C[Se]c2ccccc2)O1
InChIInChI=1S/C12H16OSe/c1-10-7-8-11(13-10)9-14-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-,11-/m0/s1
InChIKeyHEZGPNCADCTNQG-QWRGUYRKSA-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 (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane?
The IUPAC name of (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane (CID 71355561) is (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane.
What is the SMILES notation for (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane?
The canonical SMILES for (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane is C[C@H]1CC[C@@H](C[Se]c2ccccc2)O1.
What is the InChIKey of (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane?
The InChIKey is HEZGPNCADCTNQG-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16OSe/c1-10-7-8-11(13-10)9-14-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane?
(2S,5S)-2-methyl-5-(phenylselanylmethyl)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 (2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane is sourced from PubChem (CID 71355561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).