2-[(E)-dodec-7-enoxy]oxane

C17H32O2 — CID 6437394

IUPAC2-[(E)-dodec-7-enoxy]oxane
SMILESCCCC/C=C/CCCCCCOC1CCCCO1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h5-6,17H,2-4,7-16H2,1H3/b6-5+
InChIKeyGLHIBVZXAHLBAQ-AATRIKPKSA-N
MW268.44 g/mol
LogP5.23
Rot. Bonds11

About 2-[(E)-dodec-7-enoxy]oxane

2-[(E)-dodec-7-enoxy]oxane (PubChem CID 6437394) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(E)-dodec-7-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-dodec-7-enoxy]oxane
PubChem CID6437394
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-[(E)-dodec-7-enoxy]oxane
SMILESCCCC/C=C/CCCCCCOC1CCCCO1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h5-6,17H,2-4,7-16H2,1H3/b6-5+
InChIKeyGLHIBVZXAHLBAQ-AATRIKPKSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dodec-7-enoxy]oxane?
The IUPAC name of 2-[(E)-dodec-7-enoxy]oxane (CID 6437394) is 2-[(E)-dodec-7-enoxy]oxane.
What is the SMILES notation for 2-[(E)-dodec-7-enoxy]oxane?
The canonical SMILES for 2-[(E)-dodec-7-enoxy]oxane is CCCC/C=C/CCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-dodec-7-enoxy]oxane?
The InChIKey is GLHIBVZXAHLBAQ-AATRIKPKSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h5-6,17H,2-4,7-16H2,1H3/b6-5+.
What are the key properties of 2-[(E)-dodec-7-enoxy]oxane?
2-[(E)-dodec-7-enoxy]oxane has a molecular weight of 268.44 g/mol, XLogP of 5.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dodec-7-enoxy]oxane is sourced from PubChem (CID 6437394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).