dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C15H23NO4 — CID 101414253

IUPACdimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1
InChIInChI=1S/C15H23NO4/c1-8(2)12-10(14(17)19-5)7-11(15(18)20-6)13(16-12)9(3)4/h8-9,16H,7H2,1-6H3
InChIKeyKVGMBGMSEXHQMI-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.15
Rot. Bonds4

About dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 101414253) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID101414253
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namedimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1
InChIInChI=1S/C15H23NO4/c1-8(2)12-10(14(17)19-5)7-11(15(18)20-6)13(16-12)9(3)4/h8-9,16H,7H2,1-6H3
InChIKeyKVGMBGMSEXHQMI-UHFFFAOYSA-N
XLogP2.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
methyl 2-propan-2-ylcyclopentene-1-carboxylate
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1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
hexamethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),11,15(20),17-hexaene-4,5,11,12,17,18-hexacarboxylate
CID 13068956
tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate
CID 11080386
dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
CID 54679371
methyl 2-methylcyclobutene-1-carboxylate
CID 21107903
dimethyl 4-acetyl-5-ethylcyclohexa-1,4-diene-1,2-dicarboxylate
CID 101419026
trimethyl (1S,2R)-3-methylcyclopent-3-ene-1,2,4-tricarboxylate
CID 135039154
methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate
CID 90258796
methyl 1-methyl-4-(2-methylpropyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 105465180
dimethyl 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate
CID 5358294

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 101414253) is dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1.
What is the InChIKey of dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is KVGMBGMSEXHQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-8(2)12-10(14(17)19-5)7-11(15(18)20-6)13(16-12)9(3)4/h8-9,16H,7H2,1-6H3.
What are the key properties of dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-di(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 101414253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).