[(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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Related Compounds

cis-(1S,2R)-2-phenylselanylcyclopentan-1-ol
CID 12779062
trans-(1S,2S)-2-phenylselanylcyclopentan-1-ol
CID 71414227
2-phenylselanylcyclohexan-1-ol
CID 12531121
7-phenylselanyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 12654992
[(1S,2S)-2-phenylselanylcyclohexyl] (2R)-2-naphthalen-1-ylpropanoate
CID 102142355
(2R,3S)-2-phenyl-3-phenylselanyloxane
CID 101160318
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
(3aS,7S,7aR)-7-phenylselanyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 11369911
(1R,2R,4R,7S,9S,12R)-8-[[2-[(1R,2R)-2-methoxycyclopentyl]selanylphenyl]methyl]-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
CID 102070162
[(1R,2R,3R)-3-chloro-2-phenylselanylcyclohexyl] acetate
CID 12933570
2,6-bis(phenylselanyl)-9-oxabicyclo[3.3.1]nonane
CID 12529951
(1R,5R)-2,6-bis(phenylselanyl)-9-oxabicyclo[3.3.1]nonane
CID 11091390

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).