1-cyclohexyl-2-(diselanyl)ethanone

C8H14OSe2 — CID 173088045

IUPAC1-cyclohexyl-2-(diselanyl)ethanone
SMILESO=C(C[Se][SeH])C1CCCCC1
InChIInChI=1S/C8H14OSe2/c9-8(6-11-10)7-4-2-1-3-5-7/h7,10H,1-6H2
InChIKeyJQPORYIWZHOCPY-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.07
Rot. Bonds3

About 1-cyclohexyl-2-(diselanyl)ethanone

1-cyclohexyl-2-(diselanyl)ethanone (PubChem CID 173088045) has the molecular formula C8H14OSe2 and a molecular weight of 284.12 g/mol. Its IUPAC name is 1-cyclohexyl-2-(diselanyl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(diselanyl)ethanone
PubChem CID173088045
Molecular FormulaC8H14OSe2
Molecular Weight284.12 g/mol
Exact Mass285.94
IUPAC Name1-cyclohexyl-2-(diselanyl)ethanone
SMILESO=C(C[Se][SeH])C1CCCCC1
InChIInChI=1S/C8H14OSe2/c9-8(6-11-10)7-4-2-1-3-5-7/h7,10H,1-6H2
InChIKeyJQPORYIWZHOCPY-UHFFFAOYSA-N
XLogP1.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-(diselanyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptylpentan-1-one
CID 65399298
2-cyclohexylsulfonyl-1-cyclopentylethanone
CID 104756158
1-cycloheptylbutan-1-one
CID 54353743
2-(1-aminocyclobutyl)-1-cycloheptylethanone
CID 116591382
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
1-cycloheptylpent-4-yn-1-one
CID 65398839
1-cyclooctyl-4-hydroxybutan-1-one
CID 134987719
3-cyclooctyl-3-oxopropanenitrile
CID 15933104
3-cyclodecyl-3-oxopropanenitrile
CID 138502236
CID 140659203
CID 140659203
(2-cyclohexyl-2-oxoethyl)-dimethylsulfanium
CID 18547456
1-cycloheptyl-3,3,3-trifluoropropan-1-one
CID 82932563

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(diselanyl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(diselanyl)ethanone (CID 173088045) is 1-cyclohexyl-2-(diselanyl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(diselanyl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(diselanyl)ethanone is O=C(C[Se][SeH])C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(diselanyl)ethanone?
The InChIKey is JQPORYIWZHOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OSe2/c9-8(6-11-10)7-4-2-1-3-5-7/h7,10H,1-6H2.
What are the key properties of 1-cyclohexyl-2-(diselanyl)ethanone?
1-cyclohexyl-2-(diselanyl)ethanone has a molecular weight of 284.12 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(diselanyl)ethanone is sourced from PubChem (CID 173088045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).