5,6-dimethyl-2,3-dihydro-1,4-oxaselenine

C6H10OSe — CID 164804759

IUPAC5,6-dimethyl-2,3-dihydro-1,4-oxaselenine
SMILESCC1=C(C)[Se]CCO1
InChIInChI=1S/C6H10OSe/c1-5-6(2)8-4-3-7-5/h3-4H2,1-2H3
InChIKeyCGNVATVLMDRFPM-UHFFFAOYSA-N
MW177.10 g/mol
LogP1.39
Rot. Bonds

About 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine

5,6-dimethyl-2,3-dihydro-1,4-oxaselenine (PubChem CID 164804759) has the molecular formula C6H10OSe and a molecular weight of 177.10 g/mol. Its IUPAC name is 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine.

Molecular Properties

Compound Name5,6-dimethyl-2,3-dihydro-1,4-oxaselenine
PubChem CID164804759
Molecular FormulaC6H10OSe
Molecular Weight177.10 g/mol
Exact Mass177.99
IUPAC Name5,6-dimethyl-2,3-dihydro-1,4-oxaselenine
SMILESCC1=C(C)[Se]CCO1
InChIInChI=1S/C6H10OSe/c1-5-6(2)8-4-3-7-5/h3-4H2,1-2H3
InChIKeyCGNVATVLMDRFPM-UHFFFAOYSA-N
XLogP1.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.10
LogP ≤ 51.39
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

5,6-dimethyl-2,3-dihydro-1,4-dioxine;4,5-dimethyl-1,3-dioxole
CID 158529297
4-iodo-5-methyl-2,3-dihydrofuran
CID 53376968
6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 22980776
4,5-dimethyl-1,3-dioxole
CID 13058524
5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine
CID 20658718
6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine
CID 90942786
(2S,3R,6Z)-2,3,6,7-tetramethyl-1,4,8-trioxacycloundec-6-ene
CID 171575829
5-bromo-6-methyl-2,3-dihydropyran-4-one
CID 10774061
N,5,6-trimethyl-3,4-dihydro-2H-pyran-4-amine
CID 118348558
bis(2,3-dihydrofuran-5-yl)-dimethylsilane
CID 12929512
4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran
CID 67968794
5-(2-chloroethyl)-6-methyl-2,3-dihydro-1,4-oxathiine
CID 14551706

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine?
The IUPAC name of 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine (CID 164804759) is 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine.
What is the SMILES notation for 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine?
The canonical SMILES for 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine is CC1=C(C)[Se]CCO1.
What is the InChIKey of 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine?
The InChIKey is CGNVATVLMDRFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OSe/c1-5-6(2)8-4-3-7-5/h3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine?
5,6-dimethyl-2,3-dihydro-1,4-oxaselenine has a molecular weight of 177.10 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3-dihydro-1,4-oxaselenine is sourced from PubChem (CID 164804759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).