2-[(E)-undec-2-en-5-ynoxy]oxane

C16H26O2 — CID 134976144

IUPAC2-[(E)-undec-2-en-5-ynoxy]oxane
SMILESCCCCCC#CC/C=C/COC1CCCCO1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h9,11,16H,2-5,8,10,12-15H2,1H3/b11-9+
InChIKeyHCRXGKHTNWTVJZ-PKNBQFBNSA-N
MW250.38 g/mol
LogP4.06
Rot. Bonds7

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

2-[(E)-undec-2-en-5-ynoxy]oxane (PubChem CID 134976144) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[(E)-undec-2-en-5-ynoxy]oxane.

Molecular Properties

Compound Name2-[(E)-undec-2-en-5-ynoxy]oxane
PubChem CID134976144
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-[(E)-undec-2-en-5-ynoxy]oxane
SMILESCCCCCC#CC/C=C/COC1CCCCO1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h9,11,16H,2-5,8,10,12-15H2,1H3/b11-9+
InChIKeyHCRXGKHTNWTVJZ-PKNBQFBNSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.06
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
CID 125486244
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-dodeca-2,7-diynoxyoxane
CID 57283725
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
1-bromopentane;2-dodeca-5,11-diynoxyoxane;octa-1,7-diyne
CID 161441664
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-undec-2-en-5-ynoxy]oxane?
The IUPAC name of 2-[(E)-undec-2-en-5-ynoxy]oxane (CID 134976144) is 2-[(E)-undec-2-en-5-ynoxy]oxane.
What is the SMILES notation for 2-[(E)-undec-2-en-5-ynoxy]oxane?
The canonical SMILES for 2-[(E)-undec-2-en-5-ynoxy]oxane is CCCCCC#CC/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-undec-2-en-5-ynoxy]oxane?
The InChIKey is HCRXGKHTNWTVJZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h9,11,16H,2-5,8,10,12-15H2,1H3/b11-9+.
What are the key properties of 2-[(E)-undec-2-en-5-ynoxy]oxane?
2-[(E)-undec-2-en-5-ynoxy]oxane has a molecular weight of 250.38 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-undec-2-en-5-ynoxy]oxane is sourced from PubChem (CID 134976144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).