6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one

C15H28NO5P — CID 101092521

IUPAC6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one
SMILESCCOP(=O)(OCC)C(CCCC(C)=O)C1=NC(C)(C)CO1
InChIInChI=1S/C15H28NO5P/c1-6-20-22(18,21-7-2)13(10-8-9-12(3)17)14-16-15(4,5)11-19-14/h13H,6-11H2,1-5H3
InChIKeyGGYNROZEPMLGHB-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.59
Rot. Bonds10

About 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one

6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one (PubChem CID 101092521) has the molecular formula C15H28NO5P and a molecular weight of 333.37 g/mol. Its IUPAC name is 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one
PubChem CID101092521
Molecular FormulaC15H28NO5P
Molecular Weight333.37 g/mol
Exact Mass333.17
IUPAC Name6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one
SMILESCCOP(=O)(OCC)C(CCCC(C)=O)C1=NC(C)(C)CO1
InChIInChI=1S/C15H28NO5P/c1-6-20-22(18,21-7-2)13(10-8-9-12(3)17)14-16-15(4,5)11-19-14/h13H,6-11H2,1-5H3
InChIKeyGGYNROZEPMLGHB-UHFFFAOYSA-N
XLogP3.59
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-diethoxyphosphoryl-6-oxoheptanoate
CID 10852295
1-chloro-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methylbutan-2-ol
CID 10966030
3-diethoxyphosphoryl-2-methylhept-1-ene
CID 10658188
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
N-[(1S)-2,2,2-trichloro-1-diethoxyphosphorylethyl]acetamide
CID 2305152
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
6-(methylideneamino)heptan-2-one
CID 20609407
[(1R)-1-diethoxyphosphorylheptyl]benzene
CID 166637247
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
(2R,3R)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-ethenyl-2-methylhexan-1-one
CID 12995001
4-diethoxyphosphoryl-5-hydroxypentanoic acid
CID 175815296
4,4-bis(diethoxyphosphoryl)-1-pyridin-3-ylbutan-1-one
CID 10454847

Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one?
The IUPAC name of 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one (CID 101092521) is 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one.
What is the SMILES notation for 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one?
The canonical SMILES for 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one is CCOP(=O)(OCC)C(CCCC(C)=O)C1=NC(C)(C)CO1.
What is the InChIKey of 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one?
The InChIKey is GGYNROZEPMLGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28NO5P/c1-6-20-22(18,21-7-2)13(10-8-9-12(3)17)14-16-15(4,5)11-19-14/h13H,6-11H2,1-5H3.
What are the key properties of 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one?
6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one has a molecular weight of 333.37 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)hexan-2-one is sourced from PubChem (CID 101092521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).