3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine

C18H11NO — CID 59977954

IUPAC3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine
SMILESCC#CC#CC#CC#CC#CCc1cccnc1OC
InChIInChI=1S/C18H11NO/c1-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-19-18(17)20-2/h13,15-16H,14H2,1-2H3
InChIKeyGSZMSSMFSMEQEW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.67
Rot. Bonds2

About 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine

3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine (PubChem CID 59977954) has the molecular formula C18H11NO and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine.

Molecular Properties

Compound Name3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine
PubChem CID59977954
Molecular FormulaC18H11NO
Molecular Weight257.29 g/mol
Exact Mass257.08
IUPAC Name3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine
SMILESCC#CC#CC#CC#CC#CCc1cccnc1OC
InChIInChI=1S/C18H11NO/c1-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-19-18(17)20-2/h13,15-16H,14H2,1-2H3
InChIKeyGSZMSSMFSMEQEW-UHFFFAOYSA-N
XLogP1.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine?
The IUPAC name of 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine (CID 59977954) is 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine.
What is the SMILES notation for 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine?
The canonical SMILES for 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine is CC#CC#CC#CC#CC#CCc1cccnc1OC.
What is the InChIKey of 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine?
The InChIKey is GSZMSSMFSMEQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO/c1-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-19-18(17)20-2/h13,15-16H,14H2,1-2H3.
What are the key properties of 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine?
3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine has a molecular weight of 257.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodeca-2,4,6,8,10-pentaynyl-2-methoxypyridine is sourced from PubChem (CID 59977954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).