2-dec-1-ynyl-3-methoxy-6-methylpyridine

C17H25NO — CID 11694568

IUPAC2-dec-1-ynyl-3-methoxy-6-methylpyridine
SMILESCCCCCCCCC#Cc1nc(C)ccc1OC
InChIInChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-16-17(19-3)14-13-15(2)18-16/h13-14H,4-10H2,1-3H3
InChIKeyVDHRTWDUWNHOSS-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.50
Rot. Bonds7

About 2-dec-1-ynyl-3-methoxy-6-methylpyridine

2-dec-1-ynyl-3-methoxy-6-methylpyridine (PubChem CID 11694568) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-dec-1-ynyl-3-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-dec-1-ynyl-3-methoxy-6-methylpyridine
PubChem CID11694568
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-dec-1-ynyl-3-methoxy-6-methylpyridine
SMILESCCCCCCCCC#Cc1nc(C)ccc1OC
InChIInChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-16-17(19-3)14-13-15(2)18-16/h13-14H,4-10H2,1-3H3
InChIKeyVDHRTWDUWNHOSS-UHFFFAOYSA-N
XLogP4.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dec-1-ynyl-3-methoxy-6-methylpyridine?
The IUPAC name of 2-dec-1-ynyl-3-methoxy-6-methylpyridine (CID 11694568) is 2-dec-1-ynyl-3-methoxy-6-methylpyridine.
What is the SMILES notation for 2-dec-1-ynyl-3-methoxy-6-methylpyridine?
The canonical SMILES for 2-dec-1-ynyl-3-methoxy-6-methylpyridine is CCCCCCCCC#Cc1nc(C)ccc1OC.
What is the InChIKey of 2-dec-1-ynyl-3-methoxy-6-methylpyridine?
The InChIKey is VDHRTWDUWNHOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-16-17(19-3)14-13-15(2)18-16/h13-14H,4-10H2,1-3H3.
What are the key properties of 2-dec-1-ynyl-3-methoxy-6-methylpyridine?
2-dec-1-ynyl-3-methoxy-6-methylpyridine has a molecular weight of 259.39 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-1-ynyl-3-methoxy-6-methylpyridine is sourced from PubChem (CID 11694568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).