2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine

C29H45NO — CID 18632504

IUPAC2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(O[C@H](C)CCCCCC)cc2)cn1
InChIInChI=1S/C29H45NO/c1-4-6-8-10-11-12-13-15-17-28-21-18-27(24-30-28)26-19-22-29(23-20-26)31-25(3)16-14-9-7-5-2/h18-25H,4-17H2,1-3H3/t25-/m1/s1
InChIKeyVIBYQHRTQGPSGD-RUZDIDTESA-N
MW423.69 g/mol
LogP9.17
Rot. Bonds17

About 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine

2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine (PubChem CID 18632504) has the molecular formula C29H45NO and a molecular weight of 423.69 g/mol. Its IUPAC name is 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine.

Molecular Properties

Compound Name2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
PubChem CID18632504
Molecular FormulaC29H45NO
Molecular Weight423.69 g/mol
Exact Mass423.35
IUPAC Name2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(O[C@H](C)CCCCCC)cc2)cn1
InChIInChI=1S/C29H45NO/c1-4-6-8-10-11-12-13-15-17-28-21-18-27(24-30-28)26-19-22-29(23-20-26)31-25(3)16-14-9-7-5-2/h18-25H,4-17H2,1-3H3/t25-/m1/s1
InChIKeyVIBYQHRTQGPSGD-RUZDIDTESA-N
XLogP9.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 59.17
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

1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine
CID 19991217
2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine
CID 19867178
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
5-[(7S)-7-methylnonyl]-2-[4-[(2R)-octan-2-yl]oxyphenyl]pyrimidine
CID 67826945
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
CID 18795249
2-hexyl-5-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 19859603
decan-2-yloxybenzene
CID 12838331
2-methyl-1-[4-[(2R)-octan-2-yl]oxyphenyl]-4-[4-(4-octylphenyl)phenyl]benzene
CID 132938317

Frequently Asked Questions

What is the IUPAC name of 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine?
The IUPAC name of 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine (CID 18632504) is 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine.
What is the SMILES notation for 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine?
The canonical SMILES for 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine is CCCCCCCCCCc1ccc(-c2ccc(O[C@H](C)CCCCCC)cc2)cn1.
What is the InChIKey of 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine?
The InChIKey is VIBYQHRTQGPSGD-RUZDIDTESA-N. The full InChI is InChI=1S/C29H45NO/c1-4-6-8-10-11-12-13-15-17-28-21-18-27(24-30-28)26-19-22-29(23-20-26)31-25(3)16-14-9-7-5-2/h18-25H,4-17H2,1-3H3/t25-/m1/s1.
What are the key properties of 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine?
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine has a molecular weight of 423.69 g/mol, XLogP of 9.17, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine is sourced from PubChem (CID 18632504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).