2-[(E)-dodec-5-en-7-ynoxy]oxane

C17H28O2 — CID 12819518

IUPAC2-[(E)-dodec-5-en-7-ynoxy]oxane
SMILESCCCCC#C/C=C/CCCCOC1CCCCO1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h7-8,17H,2-4,9-16H2,1H3/b8-7+
InChIKeyZNGWVOOBQPIPLY-BQYQJAHWSA-N
MW264.41 g/mol
LogP4.45
Rot. Bonds8

About 2-[(E)-dodec-5-en-7-ynoxy]oxane

2-[(E)-dodec-5-en-7-ynoxy]oxane (PubChem CID 12819518) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[(E)-dodec-5-en-7-ynoxy]oxane.

Molecular Properties

Compound Name2-[(E)-dodec-5-en-7-ynoxy]oxane
PubChem CID12819518
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[(E)-dodec-5-en-7-ynoxy]oxane
SMILESCCCCC#C/C=C/CCCCOC1CCCCO1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h7-8,17H,2-4,9-16H2,1H3/b8-7+
InChIKeyZNGWVOOBQPIPLY-BQYQJAHWSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.45
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-[(E)-dodec-5-en-7-ynoxy]oxane?
The IUPAC name of 2-[(E)-dodec-5-en-7-ynoxy]oxane (CID 12819518) is 2-[(E)-dodec-5-en-7-ynoxy]oxane.
What is the SMILES notation for 2-[(E)-dodec-5-en-7-ynoxy]oxane?
The canonical SMILES for 2-[(E)-dodec-5-en-7-ynoxy]oxane is CCCCC#C/C=C/CCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-dodec-5-en-7-ynoxy]oxane?
The InChIKey is ZNGWVOOBQPIPLY-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h7-8,17H,2-4,9-16H2,1H3/b8-7+.
What are the key properties of 2-[(E)-dodec-5-en-7-ynoxy]oxane?
2-[(E)-dodec-5-en-7-ynoxy]oxane has a molecular weight of 264.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dodec-5-en-7-ynoxy]oxane is sourced from PubChem (CID 12819518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).