1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one

C136H249N7O9 — CID 158227411

IUPAC1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one
SMILESCCC(=O)C1=CN(C)CCC1(C)C.CCCC(=O)OC(CCC)C(CC)CC(=O)C1=CN(CC)CCC1(C)C.CCCCCCCC(=O)C1=CN(CCCCCCC)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(C(C)(C)C)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(C(C)C)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(CCC)CCC1(C)C.CCCCCCCCCCCC(=O)C1=CN(C)CCC1(C)C
InChIInChI=1S/C22H39NO3.C22H41NO.C21H39NO.3C20H37NO.C11H19NO/c1-7-11-20(26-21(25)12-8-2)17(9-3)15-19(24)18-16-23(10-4)14-13-22(18,5)6;1-5-7-9-11-13-15-21(24)20-19-23(18-16-22(20,3)4)17-14-12-10-8-6-2;1-7-8-9-10-11-12-13-14-19(23)18-17-22(20(2,3)4)16-15-21(18,5)6;1-6-7-8-9-10-11-12-13-19(22)18-16-21(17(2)3)15-14-20(18,4)5;1-5-6-7-8-9-10-11-12-13-14-19(22)18-17-21(4)16-15-20(18,2)3;1-5-7-8-9-10-11-12-13-19(22)18-17-21(15-6-2)16-14-20(18,3)4;1-5-10(13)9-8-12(4)7-6-11(9,2)3/h16-17,20H,7-15H2,1-6H3;19H,5-18H2,1-4H3;17H,7-16H2,1-6H3;16-17H,6-15H2,1-5H3;2*17H,5-16H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyGDYSAXDLLDRKOD-UHFFFAOYSA-N
MW2126.53 g/mol
LogP37.11
Rot. Bonds67

About 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one

1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one (PubChem CID 158227411) has the molecular formula C136H249N7O9 and a molecular weight of 2126.53 g/mol. Its IUPAC name is 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one
PubChem CID158227411
Molecular FormulaC136H249N7O9
Molecular Weight2126.53 g/mol
Exact Mass2124.92
IUPAC Name1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one
SMILESCCC(=O)C1=CN(C)CCC1(C)C.CCCC(=O)OC(CCC)C(CC)CC(=O)C1=CN(CC)CCC1(C)C.CCCCCCCC(=O)C1=CN(CCCCCCC)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(C(C)(C)C)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(C(C)C)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(CCC)CCC1(C)C.CCCCCCCCCCCC(=O)C1=CN(C)CCC1(C)C
InChIInChI=1S/C22H39NO3.C22H41NO.C21H39NO.3C20H37NO.C11H19NO/c1-7-11-20(26-21(25)12-8-2)17(9-3)15-19(24)18-16-23(10-4)14-13-22(18,5)6;1-5-7-9-11-13-15-21(24)20-19-23(18-16-22(20,3)4)17-14-12-10-8-6-2;1-7-8-9-10-11-12-13-14-19(23)18-17-22(20(2,3)4)16-15-21(18,5)6;1-6-7-8-9-10-11-12-13-19(22)18-16-21(17(2)3)15-14-20(18,4)5;1-5-6-7-8-9-10-11-12-13-14-19(22)18-17-21(4)16-15-20(18,2)3;1-5-7-8-9-10-11-12-13-19(22)18-17-21(15-6-2)16-14-20(18,3)4;1-5-10(13)9-8-12(4)7-6-11(9,2)3/h16-17,20H,7-15H2,1-6H3;19H,5-18H2,1-4H3;17H,7-16H2,1-6H3;16-17H,6-15H2,1-5H3;2*17H,5-16H2,1-4H3;8H,5-7H2,1-4H3
InChIKeyGDYSAXDLLDRKOD-UHFFFAOYSA-N
XLogP37.11
TPSA168.47 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds67
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002126.53
LogP ≤ 537.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1,6-bis[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]hexane-1,6-dione;1-[4,4-dimethyl-1-(2-methylpropyl)-2,3-dihydropyridin-5-yl]ethanone;(E)-1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)hept-3-en-1-one
CID 158921641
1-[1-[4-(5-heptanoyl-4,4-dimethyl-2,3-dihydropyridin-1-yl)phenyl]-4,4-dimethyl-2,3-dihydropyridin-5-yl]-3,7-dimethyloct-6-en-1-one
CID 129181410
3-octanoyloxyhexan-2-yl octanoate
CID 102116204
5-decanoyloxyoctan-4-yl decanoate
CID 140526612
12-(5-ethyloctadecan-6-yloxy)-12-oxododecanoic acid
CID 141458403
12-(5-ethylhexadecan-6-yloxy)-12-oxododecanoic acid
CID 141458409
pentan-2-yl tetradecanoate
CID 18676710
pentan-2-yl octadecanoate
CID 22644362
nonan-2-yl butanoate
CID 551252
tetradecan-3-yl butanoate
CID 551228
octan-4-yl octadecanoate
CID 57168711
CID 165051980
CID 165051980

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one?
The IUPAC name of 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one (CID 158227411) is 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one?
The canonical SMILES for 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one is CCC(=O)C1=CN(C)CCC1(C)C.CCCC(=O)OC(CCC)C(CC)CC(=O)C1=CN(CC)CCC1(C)C.CCCCCCCC(=O)C1=CN(CCCCCCC)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(C(C)(C)C)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(C(C)C)CCC1(C)C.CCCCCCCCCC(=O)C1=CN(CCC)CCC1(C)C.CCCCCCCCCCCC(=O)C1=CN(C)CCC1(C)C.
What is the InChIKey of 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one?
The InChIKey is GDYSAXDLLDRKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO3.C22H41NO.C21H39NO.3C20H37NO.C11H19NO/c1-7-11-20(26-21(25)12-8-2)17(9-3)15-19(24)18-16-23(10-4)14-13-22(18,5)6;1-5-7-9-11-13-15-21(24)20-19-23(18-16-22(20,3)4)17-14-12-10-8-6-2;1-7-8-9-10-11-12-13-14-19(23)18-17-22(20(2,3)4)16-15-21(18,5)6;1-6-7-8-9-10-11-12-13-19(22)18-16-21(17(2)3)15-14-20(18,4)5;1-5-6-7-8-9-10-11-12-13-14-19(22)18-17-21(4)16-15-20(18,2)3;1-5-7-8-9-10-11-12-13-19(22)18-17-21(15-6-2)16-14-20(18,3)4;1-5-10(13)9-8-12(4)7-6-11(9,2)3/h16-17,20H,7-15H2,1-6H3;19H,5-18H2,1-4H3;17H,7-16H2,1-6H3;16-17H,6-15H2,1-5H3;2*17H,5-16H2,1-4H3;8H,5-7H2,1-4H3.
What are the key properties of 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one?
1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one has a molecular weight of 2126.53 g/mol, XLogP of 37.11, 67 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propan-2-yl-2,3-dihydropyridin-5-yl)decan-1-one;1-(4,4-dimethyl-1-propyl-2,3-dihydropyridin-5-yl)decan-1-one;[3-ethyl-1-(1-ethyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)-1-oxoheptan-4-yl] butanoate;1-(1-heptyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)dodecan-1-one;1-(1,4,4-trimethyl-2,3-dihydropyridin-5-yl)propan-1-one is sourced from PubChem (CID 158227411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).