[(1R,2R)-2-methoxycyclopentyl]selanylbenzene

C12H16OSe — CID 13444245

IUPAC[(1R,2R)-2-methoxycyclopentyl]selanylbenzene
SMILESCO[C@@H]1CCC[C@H]1[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c1-13-11-8-5-9-12(11)14-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyHJCFIQCQWSUONW-VXGBXAGGSA-N
MW255.22 g/mol
LogP2.00
Rot. Bonds3

About [(1R,2R)-2-methoxycyclopentyl]selanylbenzene

[(1R,2R)-2-methoxycyclopentyl]selanylbenzene (PubChem CID 13444245) has the molecular formula C12H16OSe and a molecular weight of 255.22 g/mol. Its IUPAC name is [(1R,2R)-2-methoxycyclopentyl]selanylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-methoxycyclopentyl]selanylbenzene
PubChem CID13444245
Molecular FormulaC12H16OSe
Molecular Weight255.22 g/mol
Exact Mass256.04
IUPAC Name[(1R,2R)-2-methoxycyclopentyl]selanylbenzene
SMILESCO[C@@H]1CCC[C@H]1[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c1-13-11-8-5-9-12(11)14-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyHJCFIQCQWSUONW-VXGBXAGGSA-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 [(1R,2R)-2-methoxycyclopentyl]selanylbenzene?
The IUPAC name of [(1R,2R)-2-methoxycyclopentyl]selanylbenzene (CID 13444245) is [(1R,2R)-2-methoxycyclopentyl]selanylbenzene.
What is the SMILES notation for [(1R,2R)-2-methoxycyclopentyl]selanylbenzene?
The canonical SMILES for [(1R,2R)-2-methoxycyclopentyl]selanylbenzene is CO[C@@H]1CCC[C@H]1[Se]c1ccccc1.
What is the InChIKey of [(1R,2R)-2-methoxycyclopentyl]selanylbenzene?
The InChIKey is HJCFIQCQWSUONW-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16OSe/c1-13-11-8-5-9-12(11)14-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-methoxycyclopentyl]selanylbenzene?
[(1R,2R)-2-methoxycyclopentyl]selanylbenzene 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 [(1R,2R)-2-methoxycyclopentyl]selanylbenzene is sourced from PubChem (CID 13444245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).