6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine

C13H20NO4P — CID 122213568

IUPAC6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine
SMILESCCOP(=O)(OCC)c1nc(C)c2c(c1C)COC2
InChIInChI=1S/C13H20NO4P/c1-5-17-19(15,18-6-2)13-9(3)11-7-16-8-12(11)10(4)14-13/h5-8H2,1-4H3
InChIKeyOQVNHXSODODGSD-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.62
Rot. Bonds5

About 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine

6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine (PubChem CID 122213568) has the molecular formula C13H20NO4P and a molecular weight of 285.28 g/mol. Its IUPAC name is 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine.

Molecular Properties

Compound Name6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine
PubChem CID122213568
Molecular FormulaC13H20NO4P
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Name6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine
SMILESCCOP(=O)(OCC)c1nc(C)c2c(c1C)COC2
InChIInChI=1S/C13H20NO4P/c1-5-17-19(15,18-6-2)13-9(3)11-7-16-8-12(11)10(4)14-13/h5-8H2,1-4H3
InChIKeyOQVNHXSODODGSD-UHFFFAOYSA-N
XLogP2.62
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine?
The IUPAC name of 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine (CID 122213568) is 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine.
What is the SMILES notation for 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine?
The canonical SMILES for 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine is CCOP(=O)(OCC)c1nc(C)c2c(c1C)COC2.
What is the InChIKey of 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine?
The InChIKey is OQVNHXSODODGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO4P/c1-5-17-19(15,18-6-2)13-9(3)11-7-16-8-12(11)10(4)14-13/h5-8H2,1-4H3.
What are the key properties of 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine?
6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine has a molecular weight of 285.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryl-4,7-dimethyl-1,3-dihydrofuro[3,4-c]pyridine is sourced from PubChem (CID 122213568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).