1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone

C12H21O4PSe — CID 100960928

IUPAC1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone
SMILESCCOP(=O)(OCC)[Se]CC(=O)C1=CCCCC1
InChIInChI=1S/C12H21O4PSe/c1-3-15-17(14,16-4-2)18-10-12(13)11-8-6-5-7-9-11/h8H,3-7,9-10H2,1-2H3
InChIKeyCAPYCRKSPWLNJY-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.36
Rot. Bonds8

About 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone

1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone (PubChem CID 100960928) has the molecular formula C12H21O4PSe and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone
PubChem CID100960928
Molecular FormulaC12H21O4PSe
Molecular Weight339.23 g/mol
Exact Mass340.03
IUPAC Name1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone
SMILESCCOP(=O)(OCC)[Se]CC(=O)C1=CCCCC1
InChIInChI=1S/C12H21O4PSe/c1-3-15-17(14,16-4-2)18-10-12(13)11-8-6-5-7-9-11/h8H,3-7,9-10H2,1-2H3
InChIKeyCAPYCRKSPWLNJY-UHFFFAOYSA-N
XLogP3.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-yl(diethoxyphosphoryl)methanone
CID 13278398
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
CID 12672249
ethyl cycloundecene-1-carboxylate
CID 154164177
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182
[(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate
CID 135068360
S-[(Z)-2-(cyclohexen-1-yl)-2-diethoxyphosphoryloxyethenyl] 2,2-dimethylpropanethioate
CID 134933099
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
stibanyl cyclohexene-1-carboxylate
CID 174261272

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone (CID 100960928) is 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone is CCOP(=O)(OCC)[Se]CC(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone?
The InChIKey is CAPYCRKSPWLNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O4PSe/c1-3-15-17(14,16-4-2)18-10-12(13)11-8-6-5-7-9-11/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone?
1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone has a molecular weight of 339.23 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone is sourced from PubChem (CID 100960928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).