2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine

C16H29NO6P2 — CID 87770084

IUPAC2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine
SMILESCCOP(=O)(Cc1cc(C)cc(CP(=O)(OCC)OCC)n1)OCC
InChIInChI=1S/C16H29NO6P2/c1-6-20-24(18,21-7-2)12-15-10-14(5)11-16(17-15)13-25(19,22-8-3)23-9-4/h10-11H,6-9,12-13H2,1-5H3
InChIKeyHBUOLTGODUNIIE-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.92
Rot. Bonds12

About 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine

2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine (PubChem CID 87770084) has the molecular formula C16H29NO6P2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine.

Molecular Properties

Compound Name2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine
PubChem CID87770084
Molecular FormulaC16H29NO6P2
Molecular Weight393.36 g/mol
Exact Mass393.15
IUPAC Name2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine
SMILESCCOP(=O)(Cc1cc(C)cc(CP(=O)(OCC)OCC)n1)OCC
InChIInChI=1S/C16H29NO6P2/c1-6-20-24(18,21-7-2)12-15-10-14(5)11-16(17-15)13-25(19,22-8-3)23-9-4/h10-11H,6-9,12-13H2,1-5H3
InChIKeyHBUOLTGODUNIIE-UHFFFAOYSA-N
XLogP4.92
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine?
The IUPAC name of 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine (CID 87770084) is 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine.
What is the SMILES notation for 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine?
The canonical SMILES for 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine is CCOP(=O)(Cc1cc(C)cc(CP(=O)(OCC)OCC)n1)OCC.
What is the InChIKey of 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine?
The InChIKey is HBUOLTGODUNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO6P2/c1-6-20-24(18,21-7-2)12-15-10-14(5)11-16(17-15)13-25(19,22-8-3)23-9-4/h10-11H,6-9,12-13H2,1-5H3.
What are the key properties of 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine?
2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine has a molecular weight of 393.36 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(diethoxyphosphorylmethyl)-4-methylpyridine is sourced from PubChem (CID 87770084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).