2-methyl-3-phenylselanyloxane

C12H16OSe — CID 567151

IUPAC2-methyl-3-phenylselanyloxane
SMILESCC1OCCCC1[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c1-10-12(8-5-9-13-10)14-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKeyGWBRJAIQTFLNQZ-UHFFFAOYSA-N
MW255.22 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-3-phenylselanyloxane

2-methyl-3-phenylselanyloxane (PubChem CID 567151) has the molecular formula C12H16OSe and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-methyl-3-phenylselanyloxane.

Molecular Properties

Compound Name2-methyl-3-phenylselanyloxane
PubChem CID567151
Molecular FormulaC12H16OSe
Molecular Weight255.22 g/mol
Exact Mass256.04
IUPAC Name2-methyl-3-phenylselanyloxane
SMILESCC1OCCCC1[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c1-10-12(8-5-9-13-10)14-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKeyGWBRJAIQTFLNQZ-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

2-(Phenylselenomethyl)tetrahydrofuran
CID 551321
2-(Phenylselanyl)cyclohexan-1-ol
CID 12531121
(3S)-2-fluoro-3-phenylselanyloxane
CID 134893237
2H-Pyran, tetrahydro-2-[(phenylseleno)methyl]-
CID 558896
Furan, tetrahydro-2-methyl-5-[(phenylseleno)methyl]-
CID 558936
Furan, tetrahydro-2-methyl-2-[(phenylseleno)methyl]-
CID 558938
Dimethyl-(oxan-2-ylmethyl)-phenylsilane
CID 10879075
[(Z)-3-cyclohexyloxy-2-iodoprop-1-enyl]selanylbenzene
CID 12176934
2,5-Bis-(phenylselenomethyl)tetrahydrofuran
CID 12529961
5-Phenylselanyl-2-(phenylselanylmethyl)oxane
CID 12539575
(2-Methoxycyclohexyl)selanylbenzene
CID 12591704
2-[(Phenyltellanyl)methyl]oxane
CID 15722561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylselanyloxane?
The IUPAC name of 2-methyl-3-phenylselanyloxane (CID 567151) is 2-methyl-3-phenylselanyloxane.
What is the SMILES notation for 2-methyl-3-phenylselanyloxane?
The canonical SMILES for 2-methyl-3-phenylselanyloxane is CC1OCCCC1[Se]c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylselanyloxane?
The InChIKey is GWBRJAIQTFLNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSe/c1-10-12(8-5-9-13-10)14-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3.
What are the key properties of 2-methyl-3-phenylselanyloxane?
2-methyl-3-phenylselanyloxane has a molecular weight of 255.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylselanyloxane is sourced from PubChem (CID 567151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).