3-methoxy-2-octylpyridine

C14H23NO — CID 102048148

IUPAC3-methoxy-2-octylpyridine
SMILESCCCCCCCCc1ncccc1OC
InChIInChI=1S/C14H23NO/c1-3-4-5-6-7-8-10-13-14(16-2)11-9-12-15-13/h9,11-12H,3-8,10H2,1-2H3
InChIKeyZRSPLNRATYUXSL-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.99
Rot. Bonds8

About 3-methoxy-2-octylpyridine

3-methoxy-2-octylpyridine (PubChem CID 102048148) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methoxy-2-octylpyridine.

Molecular Properties

Compound Name3-methoxy-2-octylpyridine
PubChem CID102048148
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methoxy-2-octylpyridine
SMILESCCCCCCCCc1ncccc1OC
InChIInChI=1S/C14H23NO/c1-3-4-5-6-7-8-10-13-14(16-2)11-9-12-15-13/h9,11-12H,3-8,10H2,1-2H3
InChIKeyZRSPLNRATYUXSL-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-octylpyridine?
The IUPAC name of 3-methoxy-2-octylpyridine (CID 102048148) is 3-methoxy-2-octylpyridine.
What is the SMILES notation for 3-methoxy-2-octylpyridine?
The canonical SMILES for 3-methoxy-2-octylpyridine is CCCCCCCCc1ncccc1OC.
What is the InChIKey of 3-methoxy-2-octylpyridine?
The InChIKey is ZRSPLNRATYUXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-6-7-8-10-13-14(16-2)11-9-12-15-13/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of 3-methoxy-2-octylpyridine?
3-methoxy-2-octylpyridine has a molecular weight of 221.34 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-octylpyridine is sourced from PubChem (CID 102048148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).