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

C9H17O4P — CID 11368001

IUPAC4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran
SMILESCCOP(=O)(OCC)C1=C(C)OCC1
InChIInChI=1S/C9H17O4P/c1-4-12-14(10,13-5-2)9-6-7-11-8(9)3/h4-7H2,1-3H3
InChIKeyVVNHECWQTVSOSY-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.90
Rot. Bonds5

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

4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran (PubChem CID 11368001) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran
PubChem CID11368001
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran
SMILESCCOP(=O)(OCC)C1=C(C)OCC1
InChIInChI=1S/C9H17O4P/c1-4-12-14(10,13-5-2)9-6-7-11-8(9)3/h4-7H2,1-3H3
InChIKeyVVNHECWQTVSOSY-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.90
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-methyl-2,3-dihydrofuran?
The IUPAC name of 4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran (CID 11368001) is 4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran.
What is the SMILES notation for 4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran?
The canonical SMILES for 4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran is CCOP(=O)(OCC)C1=C(C)OCC1.
What is the InChIKey of 4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran?
The InChIKey is VVNHECWQTVSOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-4-12-14(10,13-5-2)9-6-7-11-8(9)3/h4-7H2,1-3H3.
What are the key properties of 4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran?
4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran has a molecular weight of 220.20 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-5-methyl-2,3-dihydrofuran is sourced from PubChem (CID 11368001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).