5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran

C10H19O4P — CID 11276363

IUPAC5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran
SMILESCCOP(=O)(OCC)C1=C(C)OCCC1
InChIInChI=1S/C10H19O4P/c1-4-13-15(11,14-5-2)10-7-6-8-12-9(10)3/h4-8H2,1-3H3
InChIKeyJOSMCUYNYBJBBM-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.29
Rot. Bonds5

About 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran

5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran (PubChem CID 11276363) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran
PubChem CID11276363
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran
SMILESCCOP(=O)(OCC)C1=C(C)OCCC1
InChIInChI=1S/C10H19O4P/c1-4-13-15(11,14-5-2)10-7-6-8-12-9(10)3/h4-8H2,1-3H3
InChIKeyJOSMCUYNYBJBBM-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.29
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 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran (CID 11276363) is 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran is CCOP(=O)(OCC)C1=C(C)OCCC1.
What is the InChIKey of 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran?
The InChIKey is JOSMCUYNYBJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-13-15(11,14-5-2)10-7-6-8-12-9(10)3/h4-8H2,1-3H3.
What are the key properties of 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran?
5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran has a molecular weight of 234.23 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-6-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11276363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).