4-diethoxyphosphoryl-2-propyl-2H-furan-5-one

C11H19O5P — CID 11459677

IUPAC4-diethoxyphosphoryl-2-propyl-2H-furan-5-one
SMILESCCCC1C=C(P(=O)(OCC)OCC)C(=O)O1
InChIInChI=1S/C11H19O5P/c1-4-7-9-8-10(11(12)16-9)17(13,14-5-2)15-6-3/h8-9H,4-7H2,1-3H3
InChIKeyWUSKFNBEVGTVIM-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.86
Rot. Bonds7

About 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one

4-diethoxyphosphoryl-2-propyl-2H-furan-5-one (PubChem CID 11459677) has the molecular formula C11H19O5P and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one.

Molecular Properties

Compound Name4-diethoxyphosphoryl-2-propyl-2H-furan-5-one
PubChem CID11459677
Molecular FormulaC11H19O5P
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC Name4-diethoxyphosphoryl-2-propyl-2H-furan-5-one
SMILESCCCC1C=C(P(=O)(OCC)OCC)C(=O)O1
InChIInChI=1S/C11H19O5P/c1-4-7-9-8-10(11(12)16-9)17(13,14-5-2)15-6-3/h8-9H,4-7H2,1-3H3
InChIKeyWUSKFNBEVGTVIM-UHFFFAOYSA-N
XLogP2.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-diethoxyphosphoryl-4-methylpent-2-enoate
CID 10880410
3-Diethoxyphosphoryl-5,5-dimethylfuran-2-one
CID 11230398
ethyl (E)-3-dimethoxyphosphorylpent-2-enoate
CID 102409892
ethyl (E)-4-diethoxyphosphoryloxyoct-2-enoate
CID 134830859
methyl (E)-4-di(propan-2-yloxy)phosphorylpent-2-enoate
CID 134897872
ethyl (E)-2-diethoxyphosphorylhex-2-enoate
CID 134934549
ethyl (E)-2-diethoxyphosphoryl-3-methoxyhept-2-enoate
CID 176421960
ethyl (E,4S)-4-diethoxyphosphoryloxy-2-fluoropent-2-enoate
CID 71480625
ethyl (Z,4S)-4-diethoxyphosphoryloxy-2-fluoropent-2-enoate
CID 102343708
5-[2-(Dimethoxy-phosphoryl)-acetoxy]-hex-2-enoic acid, methyl ester
CID 5373236
methyl (Z,4S)-4-diethoxyphosphoryloxypent-2-enoate
CID 11459789
(3-Dimethoxyphosphorylcyclohex-2-en-1-yl) acetate
CID 14784184

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one?
The IUPAC name of 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one (CID 11459677) is 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one.
What is the SMILES notation for 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one?
The canonical SMILES for 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one is CCCC1C=C(P(=O)(OCC)OCC)C(=O)O1.
What is the InChIKey of 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one?
The InChIKey is WUSKFNBEVGTVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O5P/c1-4-7-9-8-10(11(12)16-9)17(13,14-5-2)15-6-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one?
4-diethoxyphosphoryl-2-propyl-2H-furan-5-one has a molecular weight of 262.24 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-2-propyl-2H-furan-5-one is sourced from PubChem (CID 11459677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).