2-[(E)-hept-2-en-6-ynoxy]oxane

C12H18O2 — CID 14728076

IUPAC2-[(E)-hept-2-en-6-ynoxy]oxane
SMILESC#CCC/C=C/COC1CCCCO1
InChIInChI=1S/C12H18O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,5,7,12H,3-4,6,8-11H2/b7-5+
InChIKeyBAGKVXLDKAJYHS-FNORWQNLSA-N
MW194.27 g/mol
LogP2.50
Rot. Bonds5

About 2-[(E)-hept-2-en-6-ynoxy]oxane

2-[(E)-hept-2-en-6-ynoxy]oxane (PubChem CID 14728076) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-[(E)-hept-2-en-6-ynoxy]oxane.

Molecular Properties

Compound Name2-[(E)-hept-2-en-6-ynoxy]oxane
PubChem CID14728076
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-[(E)-hept-2-en-6-ynoxy]oxane
SMILESC#CCC/C=C/COC1CCCCO1
InChIInChI=1S/C12H18O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,5,7,12H,3-4,6,8-11H2/b7-5+
InChIKeyBAGKVXLDKAJYHS-FNORWQNLSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.50
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-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-(8-chlorooct-2-enoxy)oxane
CID 71417540
2-[(E)-7,7-diiodohept-2-enoxy]oxane
CID 45278178
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332
methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
(Z)-9-(oxan-2-yloxy)non-7-enoic acid
CID 71310420
2-[(E)-undec-2-en-5-ynoxy]oxane
CID 134976144

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hept-2-en-6-ynoxy]oxane?
The IUPAC name of 2-[(E)-hept-2-en-6-ynoxy]oxane (CID 14728076) is 2-[(E)-hept-2-en-6-ynoxy]oxane.
What is the SMILES notation for 2-[(E)-hept-2-en-6-ynoxy]oxane?
The canonical SMILES for 2-[(E)-hept-2-en-6-ynoxy]oxane is C#CCC/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-hept-2-en-6-ynoxy]oxane?
The InChIKey is BAGKVXLDKAJYHS-FNORWQNLSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,5,7,12H,3-4,6,8-11H2/b7-5+.
What are the key properties of 2-[(E)-hept-2-en-6-ynoxy]oxane?
2-[(E)-hept-2-en-6-ynoxy]oxane has a molecular weight of 194.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hept-2-en-6-ynoxy]oxane is sourced from PubChem (CID 14728076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).