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

C21H41NO — CID 150879806

IUPAC4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine
SMILESCCCCCCCCCCCCOC1=CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H41NO/c1-6-7-8-9-10-11-12-13-14-15-16-23-19-17-20(2,3)22-21(4,5)18-19/h17,22H,6-16,18H2,1-5H3
InChIKeyKVTUSOGIHQAJPY-UHFFFAOYSA-N
MW323.57 g/mol
LogP6.36
Rot. Bonds12

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

4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine (PubChem CID 150879806) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine.

Molecular Properties

Compound Name4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine
PubChem CID150879806
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine
SMILESCCCCCCCCCCCCOC1=CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H41NO/c1-6-7-8-9-10-11-12-13-14-15-16-23-19-17-20(2,3)22-21(4,5)18-19/h17,22H,6-16,18H2,1-5H3
InChIKeyKVTUSOGIHQAJPY-UHFFFAOYSA-N
XLogP6.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 56.36
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

2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine
CID 141244938
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 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine?
The IUPAC name of 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine (CID 150879806) is 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine.
What is the SMILES notation for 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine?
The canonical SMILES for 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine is CCCCCCCCCCCCOC1=CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine?
The InChIKey is KVTUSOGIHQAJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-6-7-8-9-10-11-12-13-14-15-16-23-19-17-20(2,3)22-21(4,5)18-19/h17,22H,6-16,18H2,1-5H3.
What are the key properties of 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine?
4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine has a molecular weight of 323.57 g/mol, XLogP of 6.36, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecoxy-2,2,6,6-tetramethyl-1,3-dihydropyridine is sourced from PubChem (CID 150879806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).