2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane

C22H40O4 — CID 134983458

IUPAC2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane
SMILESC(=C/CCCCCOC1CCCCO1)\CCCCCOC1CCCCO1
InChIInChI=1S/C22H40O4/c1(3-5-7-11-17-23-21-15-9-13-19-25-21)2-4-6-8-12-18-24-22-16-10-14-20-26-22/h1-2,21-22H,3-20H2/b2-1+
InChIKeyWTFBHPXKKZCMJF-OWOJBTEDSA-N
MW368.56 g/mol
LogP5.75
Rot. Bonds14

About 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane

2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane (PubChem CID 134983458) has the molecular formula C22H40O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane
PubChem CID134983458
Molecular FormulaC22H40O4
Molecular Weight368.56 g/mol
Exact Mass368.29
IUPAC Name2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane
SMILESC(=C/CCCCCOC1CCCCO1)\CCCCCOC1CCCCO1
InChIInChI=1S/C22H40O4/c1(3-5-7-11-17-23-21-15-9-13-19-25-21)2-4-6-8-12-18-24-22-16-10-14-20-26-22/h1-2,21-22H,3-20H2/b2-1+
InChIKeyWTFBHPXKKZCMJF-OWOJBTEDSA-N
XLogP5.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]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)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane?
The IUPAC name of 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane (CID 134983458) is 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane.
What is the SMILES notation for 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane?
The canonical SMILES for 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane is C(=C/CCCCCOC1CCCCO1)\CCCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane?
The InChIKey is WTFBHPXKKZCMJF-OWOJBTEDSA-N. The full InChI is InChI=1S/C22H40O4/c1(3-5-7-11-17-23-21-15-9-13-19-25-21)2-4-6-8-12-18-24-22-16-10-14-20-26-22/h1-2,21-22H,3-20H2/b2-1+.
What are the key properties of 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane?
2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane has a molecular weight of 368.56 g/mol, XLogP of 5.75, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane is sourced from PubChem (CID 134983458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).