4-diethoxyphosphoryl-4-methylpentan-2-one

C10H21O4P — CID 15311131

IUPAC4-diethoxyphosphoryl-4-methylpentan-2-one
SMILESCCOP(=O)(OCC)C(C)(C)CC(C)=O
InChIInChI=1S/C10H21O4P/c1-6-13-15(12,14-7-2)10(4,5)8-9(3)11/h6-8H2,1-5H3
InChIKeyZHVRIHXSNXNSTQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.01
Rot. Bonds7

About 4-diethoxyphosphoryl-4-methylpentan-2-one

4-diethoxyphosphoryl-4-methylpentan-2-one (PubChem CID 15311131) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-4-methylpentan-2-one.

Molecular Properties

Compound Name4-diethoxyphosphoryl-4-methylpentan-2-one
PubChem CID15311131
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name4-diethoxyphosphoryl-4-methylpentan-2-one
SMILESCCOP(=O)(OCC)C(C)(C)CC(C)=O
InChIInChI=1S/C10H21O4P/c1-6-13-15(12,14-7-2)10(4,5)8-9(3)11/h6-8H2,1-5H3
InChIKeyZHVRIHXSNXNSTQ-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.01
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

Phosphonic acid, (3-methyl-2-oxobutyl)-, diethyl ester
CID 11831018
Dimethyl P-(1,1-dimethyl-3-oxobutyl)phosphonate
CID 122179
Diethyl (2-methyl-3-oxobutan-2-yl)phosphonate
CID 14267358
1-Cyclopropyl-2-diethoxyphosphoryl-ethanone
CID 380811
2-Diethoxyphosphorylhexan-3-one
CID 10933467
2-Diethoxyphosphorylpentan-3-one
CID 13642670
Diethylphosphonoacetylacetone
CID 14225956
1-Dimethoxyphosphoryl-4-methylpentan-2-one
CID 10889104
3-Diethoxyphosphorylpentan-2-one
CID 10900195
Diethyl (2-methyl-3-oxobutyl)phosphonate
CID 88081101
Diethyl (2-methyl-3-oxopentyl)phosphonate
CID 28165
1-Dipropoxyphosphoryl-1,1-difluoro-4-methylpentan-3-one
CID 121443919

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-4-methylpentan-2-one?
The IUPAC name of 4-diethoxyphosphoryl-4-methylpentan-2-one (CID 15311131) is 4-diethoxyphosphoryl-4-methylpentan-2-one.
What is the SMILES notation for 4-diethoxyphosphoryl-4-methylpentan-2-one?
The canonical SMILES for 4-diethoxyphosphoryl-4-methylpentan-2-one is CCOP(=O)(OCC)C(C)(C)CC(C)=O.
What is the InChIKey of 4-diethoxyphosphoryl-4-methylpentan-2-one?
The InChIKey is ZHVRIHXSNXNSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-6-13-15(12,14-7-2)10(4,5)8-9(3)11/h6-8H2,1-5H3.
What are the key properties of 4-diethoxyphosphoryl-4-methylpentan-2-one?
4-diethoxyphosphoryl-4-methylpentan-2-one has a molecular weight of 236.25 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-4-methylpentan-2-one is sourced from PubChem (CID 15311131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).