dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C12H17NO4 — CID 2818324

IUPACdimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C
InChIInChI=1S/C12H17NO4/c1-6-9(11(14)16-4)7(2)13-8(3)10(6)12(15)17-5/h6,13H,1-5H3
InChIKeyBYZKBWPZYGLLTA-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.12
Rot. Bonds2

About dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 2818324) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID2818324
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namedimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C
InChIInChI=1S/C12H17NO4/c1-6-9(11(14)16-4)7(2)13-8(3)10(6)12(15)17-5/h6,13H,1-5H3
InChIKeyBYZKBWPZYGLLTA-UHFFFAOYSA-N
XLogP1.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 2818324) is dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C.
What is the InChIKey of dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is BYZKBWPZYGLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-6-9(11(14)16-4)7(2)13-8(3)10(6)12(15)17-5/h6,13H,1-5H3.
What are the key properties of dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 2818324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).