2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine

C27H53NO — CID 141244938

IUPAC2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine
SMILESCCCCCCCCCCCCCCCCCCOC1=CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H53NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-25-23-26(2,3)28-27(4,5)24-25/h23,28H,6-22,24H2,1-5H3
InChIKeyWDXHUWHMRKXDKK-UHFFFAOYSA-N
MW407.73 g/mol
LogP8.70
Rot. Bonds18

About 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine

2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine (PubChem CID 141244938) has the molecular formula C27H53NO and a molecular weight of 407.73 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine
PubChem CID141244938
Molecular FormulaC27H53NO
Molecular Weight407.73 g/mol
Exact Mass407.41
IUPAC Name2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine
SMILESCCCCCCCCCCCCCCCCCCOC1=CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H53NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-25-23-26(2,3)28-27(4,5)24-25/h23,28H,6-22,24H2,1-5H3
InChIKeyWDXHUWHMRKXDKK-UHFFFAOYSA-N
XLogP8.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine
CID 150879806
1-nonoxycyclopenta-1,3-diene
CID 175032458
3,3-dimethyl-5-methylidene-1-pentoxycyclohexene
CID 140979510
1-methyl-3-octoxycyclohex-3-ene-1-carbaldehyde
CID 142267503
N,N'-bis(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine
CID 141057325
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
3-methyl-3-octoxyazetidine
CID 83065433
heptane;pyrrole-2,5-dione
CID 159979894
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
dodecylmercury;hydrate
CID 78070234

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine?
The IUPAC name of 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine (CID 141244938) is 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine is CCCCCCCCCCCCCCCCCCOC1=CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine?
The InChIKey is WDXHUWHMRKXDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-25-23-26(2,3)28-27(4,5)24-25/h23,28H,6-22,24H2,1-5H3.
What are the key properties of 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine?
2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine has a molecular weight of 407.73 g/mol, XLogP of 8.70, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine is sourced from PubChem (CID 141244938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).