2-methoxy-5-methylidene-3-phenylselanyloxane

C13H16O2Se — CID 101142786

IUPAC2-methoxy-5-methylidene-3-phenylselanyloxane
SMILESC=C1COC(OC)C([Se]c2ccccc2)C1
InChIInChI=1S/C13H16O2Se/c1-10-8-12(13(14-2)15-9-10)16-11-6-4-3-5-7-11/h3-7,12-13H,1,8-9H2,2H3
InChIKeyKOWOSSXZHFOKCV-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.75
Rot. Bonds3

About 2-methoxy-5-methylidene-3-phenylselanyloxane

2-methoxy-5-methylidene-3-phenylselanyloxane (PubChem CID 101142786) has the molecular formula C13H16O2Se and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-methoxy-5-methylidene-3-phenylselanyloxane.

Molecular Properties

Compound Name2-methoxy-5-methylidene-3-phenylselanyloxane
PubChem CID101142786
Molecular FormulaC13H16O2Se
Molecular Weight283.23 g/mol
Exact Mass284.03
IUPAC Name2-methoxy-5-methylidene-3-phenylselanyloxane
SMILESC=C1COC(OC)C([Se]c2ccccc2)C1
InChIInChI=1S/C13H16O2Se/c1-10-8-12(13(14-2)15-9-10)16-11-6-4-3-5-7-11/h3-7,12-13H,1,8-9H2,2H3
InChIKeyKOWOSSXZHFOKCV-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-methoxycyclopentyl]selanylbenzene
CID 13444245
4-methylidene-2-phenyloxolane
CID 11084168
(2S,3R)-2-methoxy-3-phenyl-3,6-dihydro-2H-pyran
CID 10797749
(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylselanyloxane
CID 102307527
(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane
CID 134882559
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
(3-methylidenecyclohexyl)selanylbenzene
CID 10977904
(2R,3S)-2-phenyl-3-phenylselanyloxane
CID 101160318
methyl (2S)-2-cyclohexyl-2-[(2R,3S)-3-phenylselanyloxolan-2-yl]oxyacetate
CID 12025659
5-[(2R,4R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-methyl-3-phenylselanyloxolan-2-one
CID 11291619
2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
CID 18704700

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylidene-3-phenylselanyloxane?
The IUPAC name of 2-methoxy-5-methylidene-3-phenylselanyloxane (CID 101142786) is 2-methoxy-5-methylidene-3-phenylselanyloxane.
What is the SMILES notation for 2-methoxy-5-methylidene-3-phenylselanyloxane?
The canonical SMILES for 2-methoxy-5-methylidene-3-phenylselanyloxane is C=C1COC(OC)C([Se]c2ccccc2)C1.
What is the InChIKey of 2-methoxy-5-methylidene-3-phenylselanyloxane?
The InChIKey is KOWOSSXZHFOKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2Se/c1-10-8-12(13(14-2)15-9-10)16-11-6-4-3-5-7-11/h3-7,12-13H,1,8-9H2,2H3.
What are the key properties of 2-methoxy-5-methylidene-3-phenylselanyloxane?
2-methoxy-5-methylidene-3-phenylselanyloxane has a molecular weight of 283.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylidene-3-phenylselanyloxane is sourced from PubChem (CID 101142786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).