2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine

C26H39NO — CID 19867178

IUPAC2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(OCC(C)CC)cc2)cn1
InChIInChI=1S/C26H39NO/c1-4-6-7-8-9-10-11-12-13-25-17-14-24(20-27-25)23-15-18-26(19-16-23)28-21-22(3)5-2/h14-20,22H,4-13,21H2,1-3H3
InChIKeyDBDVSNCTLNTZDI-UHFFFAOYSA-N
MW381.60 g/mol
LogP7.86
Rot. Bonds14

About 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine

2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine (PubChem CID 19867178) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine
PubChem CID19867178
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(OCC(C)CC)cc2)cn1
InChIInChI=1S/C26H39NO/c1-4-6-7-8-9-10-11-12-13-25-17-14-24(20-27-25)23-15-18-26(19-16-23)28-21-22(3)5-2/h14-20,22H,4-13,21H2,1-3H3
InChIKeyDBDVSNCTLNTZDI-UHFFFAOYSA-N
XLogP7.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 57.86
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

5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 67813109
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
CID 23181046
2-hexyl-5-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 19859603
3-hexyl-6-[4-[3-[(2S)-2-methylbutoxy]propoxy]phenyl]pyridazine
CID 54283089
4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
CID 18795249
2-[4-[[4-(2-methylbutoxy)phenyl]-[[4-(2-methylbutoxy)phenyl]-[4-(5-nonylpyrimidin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrimidine
CID 88523237
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403
5-butoxy-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 23180662
[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
CID 88604896
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 54177725

Frequently Asked Questions

What is the IUPAC name of 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine?
The IUPAC name of 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine (CID 19867178) is 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine.
What is the SMILES notation for 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine?
The canonical SMILES for 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine is CCCCCCCCCCc1ccc(-c2ccc(OCC(C)CC)cc2)cn1.
What is the InChIKey of 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine?
The InChIKey is DBDVSNCTLNTZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO/c1-4-6-7-8-9-10-11-12-13-25-17-14-24(20-27-25)23-15-18-26(19-16-23)28-21-22(3)5-2/h14-20,22H,4-13,21H2,1-3H3.
What are the key properties of 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine?
2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine has a molecular weight of 381.60 g/mol, XLogP of 7.86, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine is sourced from PubChem (CID 19867178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).