6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate

C17H25NO5 — CID 91724136

IUPAC6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate
SMILESCCCOC(=O)c1cccc(C(=O)OC(C)C(C)CCOC)n1
InChIInChI=1S/C17H25NO5/c1-5-10-22-16(19)14-7-6-8-15(18-14)17(20)23-13(3)12(2)9-11-21-4/h6-8,12-13H,5,9-11H2,1-4H3
InChIKeyZRKBMNFABHGLHO-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.87
Rot. Bonds9

About 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate

6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate (PubChem CID 91724136) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate
PubChem CID91724136
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate
SMILESCCCOC(=O)c1cccc(C(=O)OC(C)C(C)CCOC)n1
InChIInChI=1S/C17H25NO5/c1-5-10-22-16(19)14-7-6-8-15(18-14)17(20)23-13(3)12(2)9-11-21-4/h6-8,12-13H,5,9-11H2,1-4H3
InChIKeyZRKBMNFABHGLHO-UHFFFAOYSA-N
XLogP2.87
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-O-[3-(2-methoxyethyl)heptyl] 6-O-(2-methylpropyl) pyridine-2,6-dicarboxylate
CID 91725064
6-O-octan-2-yl 2-O-tridecyl pyridine-2,6-dicarboxylate
CID 91724940
6-O-octan-2-yl 2-O-octyl pyridine-2,6-dicarboxylate
CID 91725151
propyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498670
2-O-heptyl 6-O-(2-methylhexan-3-yl) pyridine-2,6-dicarboxylate
CID 91725148
2-O-heptadecyl 6-O-(3-methylbutyl) pyridine-2,6-dicarboxylate
CID 91725100
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91725154
6-O-(2-methylhexan-3-yl) 2-O-(2-methylpropyl) pyridine-2,6-dicarboxylate
CID 91727236
2-O-butyl 6-O-dodecyl pyridine-2,6-dicarboxylate
CID 91735947
6-O-(2-methylpropyl) 2-O-undecyl pyridine-2,6-dicarboxylate
CID 91725058
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate
CID 8884022

Frequently Asked Questions

What is the IUPAC name of 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate?
The IUPAC name of 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate (CID 91724136) is 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate.
What is the SMILES notation for 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate?
The canonical SMILES for 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate is CCCOC(=O)c1cccc(C(=O)OC(C)C(C)CCOC)n1.
What is the InChIKey of 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate?
The InChIKey is ZRKBMNFABHGLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-5-10-22-16(19)14-7-6-8-15(18-14)17(20)23-13(3)12(2)9-11-21-4/h6-8,12-13H,5,9-11H2,1-4H3.
What are the key properties of 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate?
6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate has a molecular weight of 323.39 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate is sourced from PubChem (CID 91724136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).