trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol

C11H14OSe — CID 71414227

IUPACtrans-(1S,2S)-2-phenylselanylcyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C11H14OSe/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-/m0/s1
InChIKeyKJWMPIJYRBLYOF-QWRGUYRKSA-N
MW241.19 g/mol
LogP1.35
Rot. Bonds2

About trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol

trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol (PubChem CID 71414227) has the molecular formula C11H14OSe and a molecular weight of 241.19 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenylselanylcyclopentan-1-ol
PubChem CID71414227
Molecular FormulaC11H14OSe
Molecular Weight241.19 g/mol
Exact Mass242.02
IUPAC Nametrans-(1S,2S)-2-phenylselanylcyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C11H14OSe/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-/m0/s1
InChIKeyKJWMPIJYRBLYOF-QWRGUYRKSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol (CID 71414227) is trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol is O[C@H]1CCC[C@@H]1[Se]c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol?
The InChIKey is KJWMPIJYRBLYOF-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14OSe/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol?
trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol has a molecular weight of 241.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol is sourced from PubChem (CID 71414227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).