cyclohexen-1-yl(diethoxyphosphoryl)methanone

C11H19O4P — CID 13278398

IUPACcyclohexen-1-yl(diethoxyphosphoryl)methanone
SMILESCCOP(=O)(OCC)C(=O)C1=CCCCC1
InChIInChI=1S/C11H19O4P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3
InChIKeyOMSIZSFHRKPRPU-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.28
Rot. Bonds6

About cyclohexen-1-yl(diethoxyphosphoryl)methanone

cyclohexen-1-yl(diethoxyphosphoryl)methanone (PubChem CID 13278398) has the molecular formula C11H19O4P and a molecular weight of 246.24 g/mol. Its IUPAC name is cyclohexen-1-yl(diethoxyphosphoryl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(diethoxyphosphoryl)methanone
PubChem CID13278398
Molecular FormulaC11H19O4P
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Namecyclohexen-1-yl(diethoxyphosphoryl)methanone
SMILESCCOP(=O)(OCC)C(=O)C1=CCCCC1
InChIInChI=1S/C11H19O4P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3
InChIKeyOMSIZSFHRKPRPU-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone
CID 100960928
1-[(Z)-1-chloro-2-diethoxyphosphorylethenyl]cyclohexene
CID 12672249
ethyl cycloundecene-1-carboxylate
CID 154164177
[(Z)-1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethenyl] diethyl phosphate
CID 135068360
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
S-[(Z)-2-(cyclohexen-1-yl)-2-diethoxyphosphoryloxyethenyl] 2,2-dimethylpropanethioate
CID 134933099
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
1-(cyclohexen-1-yl)-2-ethoxypentan-1-one
CID 106652219
methyl cyclododecene-1-carboxylate
CID 54564642
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(diethoxyphosphoryl)methanone?
The IUPAC name of cyclohexen-1-yl(diethoxyphosphoryl)methanone (CID 13278398) is cyclohexen-1-yl(diethoxyphosphoryl)methanone.
What is the SMILES notation for cyclohexen-1-yl(diethoxyphosphoryl)methanone?
The canonical SMILES for cyclohexen-1-yl(diethoxyphosphoryl)methanone is CCOP(=O)(OCC)C(=O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl(diethoxyphosphoryl)methanone?
The InChIKey is OMSIZSFHRKPRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O4P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3.
What are the key properties of cyclohexen-1-yl(diethoxyphosphoryl)methanone?
cyclohexen-1-yl(diethoxyphosphoryl)methanone has a molecular weight of 246.24 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(diethoxyphosphoryl)methanone is sourced from PubChem (CID 13278398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).