4-octa-1,3,5,7-tetraynylmorpholine

C12H9NO — CID 102421981

IUPAC4-octa-1,3,5,7-tetraynylmorpholine
SMILESC#CC#CC#CC#CN1CCOCC1
InChIInChI=1S/C12H9NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h1H,9-12H2
InChIKeyBHWWGSSTXISHQU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.08
Rot. Bonds

About 4-octa-1,3,5,7-tetraynylmorpholine

4-octa-1,3,5,7-tetraynylmorpholine (PubChem CID 102421981) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-octa-1,3,5,7-tetraynylmorpholine.

Molecular Properties

Compound Name4-octa-1,3,5,7-tetraynylmorpholine
PubChem CID102421981
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name4-octa-1,3,5,7-tetraynylmorpholine
SMILESC#CC#CC#CC#CN1CCOCC1
InChIInChI=1S/C12H9NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h1H,9-12H2
InChIKeyBHWWGSSTXISHQU-UHFFFAOYSA-N
XLogP-0.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.08
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 4-octa-1,3,5,7-tetraynylmorpholine?
The IUPAC name of 4-octa-1,3,5,7-tetraynylmorpholine (CID 102421981) is 4-octa-1,3,5,7-tetraynylmorpholine.
What is the SMILES notation for 4-octa-1,3,5,7-tetraynylmorpholine?
The canonical SMILES for 4-octa-1,3,5,7-tetraynylmorpholine is C#CC#CC#CC#CN1CCOCC1.
What is the InChIKey of 4-octa-1,3,5,7-tetraynylmorpholine?
The InChIKey is BHWWGSSTXISHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h1H,9-12H2.
What are the key properties of 4-octa-1,3,5,7-tetraynylmorpholine?
4-octa-1,3,5,7-tetraynylmorpholine has a molecular weight of 183.21 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octa-1,3,5,7-tetraynylmorpholine is sourced from PubChem (CID 102421981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).