4-(dodecoxymethyl)pyridine

C18H31NO — CID 175554630

IUPAC4-(dodecoxymethyl)pyridine
SMILESCCCCCCCCCCCCOCc1ccncc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-16-20-17-18-12-14-19-15-13-18/h12-15H,2-11,16-17H2,1H3
InChIKeyYAMUMPPCLUNOHN-UHFFFAOYSA-N
MW277.45 g/mol
LogP5.52
Rot. Bonds13

About 4-(dodecoxymethyl)pyridine

4-(dodecoxymethyl)pyridine (PubChem CID 175554630) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(dodecoxymethyl)pyridine.

Molecular Properties

Compound Name4-(dodecoxymethyl)pyridine
PubChem CID175554630
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-(dodecoxymethyl)pyridine
SMILESCCCCCCCCCCCCOCc1ccncc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-16-20-17-18-12-14-19-15-13-18/h12-15H,2-11,16-17H2,1H3
InChIKeyYAMUMPPCLUNOHN-UHFFFAOYSA-N
XLogP5.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
CID 59757640
4-(hexoxymethyl)phenol
CID 14816980
1-methyl-4-(octoxymethyl)benzene
CID 86156710
azane;hexoxymethylbenzene
CID 174805489
[4-(heptoxymethyl)phenyl]-trimethylsilane
CID 103438642
2-hexadecoxyethoxymethylbenzene
CID 19965709
1-(chloromethyl)-4-(dodecoxymethyl)benzene
CID 71367802
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
4-(heptoxymethyl)pyridin-2-amine
CID 62465689
1-methoxy-4-(octoxymethyl)benzene
CID 11288168

Frequently Asked Questions

What is the IUPAC name of 4-(dodecoxymethyl)pyridine?
The IUPAC name of 4-(dodecoxymethyl)pyridine (CID 175554630) is 4-(dodecoxymethyl)pyridine.
What is the SMILES notation for 4-(dodecoxymethyl)pyridine?
The canonical SMILES for 4-(dodecoxymethyl)pyridine is CCCCCCCCCCCCOCc1ccncc1.
What is the InChIKey of 4-(dodecoxymethyl)pyridine?
The InChIKey is YAMUMPPCLUNOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-16-20-17-18-12-14-19-15-13-18/h12-15H,2-11,16-17H2,1H3.
What are the key properties of 4-(dodecoxymethyl)pyridine?
4-(dodecoxymethyl)pyridine has a molecular weight of 277.45 g/mol, XLogP of 5.52, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecoxymethyl)pyridine is sourced from PubChem (CID 175554630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).