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

C17H28O2 — CID 24976189

IUPAC2-[(E)-dodec-7-en-5-ynoxy]oxane
SMILESCCCC/C=C/C#CCCCCOC1CCCCO1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h5-6,17H,2-4,9-16H2,1H3/b6-5+
InChIKeyYUMVDQMKOKGLIT-AATRIKPKSA-N
MW264.41 g/mol
LogP4.45
Rot. Bonds8

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

2-[(E)-dodec-7-en-5-ynoxy]oxane (PubChem CID 24976189) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[(E)-dodec-7-en-5-ynoxy]oxane.

Molecular Properties

Compound Name2-[(E)-dodec-7-en-5-ynoxy]oxane
PubChem CID24976189
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[(E)-dodec-7-en-5-ynoxy]oxane
SMILESCCCC/C=C/C#CCCCCOC1CCCCO1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h5-6,17H,2-4,9-16H2,1H3/b6-5+
InChIKeyYUMVDQMKOKGLIT-AATRIKPKSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dodec-7-en-5-ynoxy]oxane?
The IUPAC name of 2-[(E)-dodec-7-en-5-ynoxy]oxane (CID 24976189) is 2-[(E)-dodec-7-en-5-ynoxy]oxane.
What is the SMILES notation for 2-[(E)-dodec-7-en-5-ynoxy]oxane?
The canonical SMILES for 2-[(E)-dodec-7-en-5-ynoxy]oxane is CCCC/C=C/C#CCCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-dodec-7-en-5-ynoxy]oxane?
The InChIKey is YUMVDQMKOKGLIT-AATRIKPKSA-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/h5-6,17H,2-4,9-16H2,1H3/b6-5+.
What are the key properties of 2-[(E)-dodec-7-en-5-ynoxy]oxane?
2-[(E)-dodec-7-en-5-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-7-en-5-ynoxy]oxane is sourced from PubChem (CID 24976189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).