4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine

C16H25NO2 — CID 129363636

IUPAC4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
SMILESc1cc(CCCCCCO[C@H]2CCCCO2)ccn1
InChIInChI=1S/C16H25NO2/c1(3-7-15-9-11-17-12-10-15)2-5-13-18-16-8-4-6-14-19-16/h9-12,16H,1-8,13-14H2/t16-/m1/s1
InChIKeyVJXPSZHCIMVFJJ-MRXNPFEDSA-N
MW263.38 g/mol
LogP3.73
Rot. Bonds8

About 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine

4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine (PubChem CID 129363636) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine.

Molecular Properties

Compound Name4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
PubChem CID129363636
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
SMILESc1cc(CCCCCCO[C@H]2CCCCO2)ccn1
InChIInChI=1S/C16H25NO2/c1(3-7-15-9-11-17-12-10-15)2-5-13-18-16-8-4-6-14-19-16/h9-12,16H,1-8,13-14H2/t16-/m1/s1
InChIKeyVJXPSZHCIMVFJJ-MRXNPFEDSA-N
XLogP3.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
2-(10-thiophen-2-yldecoxy)oxane
CID 71403514
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
CID 67378314
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[5-(furan-2-yl)pentoxy]oxane
CID 102163402
CID 161088748
CID 161088748
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine
CID 10851984
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine?
The IUPAC name of 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine (CID 129363636) is 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine.
What is the SMILES notation for 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine?
The canonical SMILES for 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine is c1cc(CCCCCCO[C@H]2CCCCO2)ccn1.
What is the InChIKey of 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine?
The InChIKey is VJXPSZHCIMVFJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25NO2/c1(3-7-15-9-11-17-12-10-15)2-5-13-18-16-8-4-6-14-19-16/h9-12,16H,1-8,13-14H2/t16-/m1/s1.
What are the key properties of 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine?
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine has a molecular weight of 263.38 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine is sourced from PubChem (CID 129363636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).