4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran

C11H21O4P — CID 10944771

IUPAC4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran
SMILESCCOP(=O)(OCC)C1=C(CC)OC(C)C1
InChIInChI=1S/C11H21O4P/c1-5-10-11(8-9(4)15-10)16(12,13-6-2)14-7-3/h9H,5-8H2,1-4H3
InChIKeyINLPAQJRQSHCML-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.68
Rot. Bonds6

About 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran

4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran (PubChem CID 10944771) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran
PubChem CID10944771
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran
SMILESCCOP(=O)(OCC)C1=C(CC)OC(C)C1
InChIInChI=1S/C11H21O4P/c1-5-10-11(8-9(4)15-10)16(12,13-6-2)14-7-3/h9H,5-8H2,1-4H3
InChIKeyINLPAQJRQSHCML-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran?
The IUPAC name of 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran (CID 10944771) is 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran.
What is the SMILES notation for 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran?
The canonical SMILES for 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran is CCOP(=O)(OCC)C1=C(CC)OC(C)C1.
What is the InChIKey of 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran?
The InChIKey is INLPAQJRQSHCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-5-10-11(8-9(4)15-10)16(12,13-6-2)14-7-3/h9H,5-8H2,1-4H3.
What are the key properties of 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran?
4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran has a molecular weight of 248.26 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-5-ethyl-2-methyl-2,3-dihydrofuran is sourced from PubChem (CID 10944771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).