2-phenylselanyloxane

C11H14OSe — CID 11118188

IUPAC2-phenylselanyloxane
SMILESc1ccc([Se]C2CCCCO2)cc1
InChIInChI=1S/C11H14OSe/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2
InChIKeyNCFLVQQSEWLFKQ-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.54
Rot. Bonds2

About 2-phenylselanyloxane

2-phenylselanyloxane (PubChem CID 11118188) has the molecular formula C11H14OSe and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-phenylselanyloxane.

Molecular Properties

Compound Name2-phenylselanyloxane
PubChem CID11118188
Molecular FormulaC11H14OSe
Molecular Weight241.19 g/mol
Exact Mass242.02
IUPAC Name2-phenylselanyloxane
SMILESc1ccc([Se]C2CCCCO2)cc1
InChIInChI=1S/C11H14OSe/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2
InChIKeyNCFLVQQSEWLFKQ-UHFFFAOYSA-N
XLogP1.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.54
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

(2R,3S)-2-phenyl-3-phenylselanyloxane
CID 101160318
(1S,6S,7E)-7-[(2R)-2-phenylselanylcyclohexylidene]-2-oxabicyclo[4.1.0]heptane
CID 44631177
(2R,3S)-3-methyl-2-phenylselanyloxolane
CID 15890900
2-phenylselanylcyclohexan-1-ol
CID 12531121
7-phenylselanyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 12654992
N-(oxan-2-yl)benzamide
CID 3717262
1-chloro-2-phenylselanylcyclododecane
CID 12550112
oxan-2-yl(phenyl)silane
CID 123640757
2-[(2R)-oxan-2-yl]phenol
CID 92978074
(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane
CID 134882559
(2R)-2-[(1S)-1-phenylselanylethyl]oxolane
CID 102417969
(2S)-2-(1-phenylselanylethyl)oxolane
CID 137284926

Frequently Asked Questions

What is the IUPAC name of 2-phenylselanyloxane?
The IUPAC name of 2-phenylselanyloxane (CID 11118188) is 2-phenylselanyloxane.
What is the SMILES notation for 2-phenylselanyloxane?
The canonical SMILES for 2-phenylselanyloxane is c1ccc([Se]C2CCCCO2)cc1.
What is the InChIKey of 2-phenylselanyloxane?
The InChIKey is NCFLVQQSEWLFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OSe/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2.
What are the key properties of 2-phenylselanyloxane?
2-phenylselanyloxane has a molecular weight of 241.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanyloxane is sourced from PubChem (CID 11118188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).