3-diethoxyphosphoryl-5,5-dimethylfuran-2-one

C10H17O5P — CID 11230398

IUPAC3-diethoxyphosphoryl-5,5-dimethylfuran-2-one
SMILESCCOP(=O)(OCC)C1=CC(C)(C)OC1=O
InChIInChI=1S/C10H17O5P/c1-5-13-16(12,14-6-2)8-7-10(3,4)15-9(8)11/h7H,5-6H2,1-4H3
InChIKeySSIGWEZYYLMYMR-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.47
Rot. Bonds5

About 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one

3-diethoxyphosphoryl-5,5-dimethylfuran-2-one (PubChem CID 11230398) has the molecular formula C10H17O5P and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-5,5-dimethylfuran-2-one
PubChem CID11230398
Molecular FormulaC10H17O5P
Molecular Weight248.21 g/mol
Exact Mass248.08
IUPAC Name3-diethoxyphosphoryl-5,5-dimethylfuran-2-one
SMILESCCOP(=O)(OCC)C1=CC(C)(C)OC1=O
InChIInChI=1S/C10H17O5P/c1-5-13-16(12,14-6-2)8-7-10(3,4)15-9(8)11/h7H,5-6H2,1-4H3
InChIKeySSIGWEZYYLMYMR-UHFFFAOYSA-N
XLogP2.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.47
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)-4-diethoxyphosphoryl-3-methylpent-2-enoate
CID 21437502
ethyl (E)-2-diethoxyphosphoryl-4-methylpent-2-enoate
CID 10880410
tert-butyl (E)-4-diethoxyphosphoryloxybut-2-enoate
CID 11818689
tert-butyl (E)-4-diethoxyphosphorylbut-2-enoate
CID 15660626
ethyl (E)-3-dimethoxyphosphorylpent-2-enoate
CID 102409892
methyl (E)-4-di(propan-2-yloxy)phosphorylpent-2-enoate
CID 134897872
ethyl (E)-2-diethoxyphosphorylhex-2-enoate
CID 134934549
Ethyl 4-bromo-2-ethoxy-5,5-dimethyl-2-oxo-1,2lambda5-oxaphosphole-3-carboxylate
CID 134935500
4-Bromo-3-diethoxyphosphoryl-5,5-dimethylfuran-2-one
CID 134935596
4-Chloro-3-diethoxyphosphoryl-5-ethenyl-5-methylfuran-2-one
CID 134996201
ethyl (E)-2-diethoxyphosphoryl-3-methoxypent-2-enoate
CID 176421959
ethyl (E,4S)-4-diethoxyphosphoryloxy-2-fluoropent-2-enoate
CID 71480625

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one?
The IUPAC name of 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one (CID 11230398) is 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one is CCOP(=O)(OCC)C1=CC(C)(C)OC1=O.
What is the InChIKey of 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one?
The InChIKey is SSIGWEZYYLMYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O5P/c1-5-13-16(12,14-6-2)8-7-10(3,4)15-9(8)11/h7H,5-6H2,1-4H3.
What are the key properties of 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one?
3-diethoxyphosphoryl-5,5-dimethylfuran-2-one has a molecular weight of 248.21 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-5,5-dimethylfuran-2-one is sourced from PubChem (CID 11230398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).