(2R)-2-[(E)-dodec-5-enoxy]oxane

C17H32O2 — CID 125486255

IUPAC(2R)-2-[(E)-dodec-5-enoxy]oxane
SMILESCCCCCC/C=C/CCCCO[C@@H]1CCCCO1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h7-8,17H,2-6,9-16H2,1H3/b8-7+/t17-/m0/s1
InChIKeyYRNACJIFQABESC-OZSKJFCKSA-N
MW268.44 g/mol
LogP5.23
Rot. Bonds11

About (2R)-2-[(E)-dodec-5-enoxy]oxane

(2R)-2-[(E)-dodec-5-enoxy]oxane (PubChem CID 125486255) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (2R)-2-[(E)-dodec-5-enoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[(E)-dodec-5-enoxy]oxane
PubChem CID125486255
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(2R)-2-[(E)-dodec-5-enoxy]oxane
SMILESCCCCCC/C=C/CCCCO[C@@H]1CCCCO1
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h7-8,17H,2-6,9-16H2,1H3/b8-7+/t17-/m0/s1
InChIKeyYRNACJIFQABESC-OZSKJFCKSA-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'}

Analyze (2R)-2-[(E)-dodec-5-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

Related Compounds

2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(E)-dec-3-enoxy]oxane
CID 15649194
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-octacosoxyoxane
CID 11214102
2-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056
2-[4-[(2S,3S)-3-[(Z)-tetradec-1-enyl]oxiran-2-yl]butoxy]oxane
CID 88665094
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
CID 6450274
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
(2S)-2-tridec-6-ynoxyoxane
CID 124565996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-dodec-5-enoxy]oxane?
The IUPAC name of (2R)-2-[(E)-dodec-5-enoxy]oxane (CID 125486255) is (2R)-2-[(E)-dodec-5-enoxy]oxane.
What is the SMILES notation for (2R)-2-[(E)-dodec-5-enoxy]oxane?
The canonical SMILES for (2R)-2-[(E)-dodec-5-enoxy]oxane is CCCCCC/C=C/CCCCO[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(E)-dodec-5-enoxy]oxane?
The InChIKey is YRNACJIFQABESC-OZSKJFCKSA-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/h7-8,17H,2-6,9-16H2,1H3/b8-7+/t17-/m0/s1.
What are the key properties of (2R)-2-[(E)-dodec-5-enoxy]oxane?
(2R)-2-[(E)-dodec-5-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 (2R)-2-[(E)-dodec-5-enoxy]oxane is sourced from PubChem (CID 125486255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).