copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane

C10H13CuO2 — CID 127262300

IUPACcopper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane
SMILES[C-]#C/C=C/COC1CCCCO1.[Cu+]
InChIInChI=1S/C10H13O2.Cu/c1-2-3-5-8-11-10-7-4-6-9-12-10;/h3,5,10H,4,6-9H2;/q-1;+1/b5-3+;
InChIKeyLMNDGSNHSPBWKC-WGCWOXMQSA-N
MW228.76 g/mol
LogP1.67
Rot. Bonds3

About copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane

copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane (PubChem CID 127262300) has the molecular formula C10H13CuO2 and a molecular weight of 228.76 g/mol. Its IUPAC name is copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane.

Molecular Properties

Compound Namecopper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane
PubChem CID127262300
Molecular FormulaC10H13CuO2
Molecular Weight228.76 g/mol
Exact Mass228.02
IUPAC Namecopper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane
SMILES[C-]#C/C=C/COC1CCCCO1.[Cu+]
InChIInChI=1S/C10H13O2.Cu/c1-2-3-5-8-11-10-7-4-6-9-12-10;/h3,5,10H,4,6-9H2;/q-1;+1/b5-3+;
InChIKeyLMNDGSNHSPBWKC-WGCWOXMQSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.76
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Allyloxytetrahydropyran
CID 4532059
2-[(E)-4-bromobut-2-enoxy]oxane
CID 10752203
2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103519
(2S)-2-prop-2-enoxyoxane
CID 7033617
2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(Z)-3-fluorobut-2-enoxy]oxane
CID 90381677
2-[(E)-3-fluorobut-2-enoxy]oxane
CID 90381688
2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane
CID 169226620
2-[(Z)-4,4,4-trifluorobut-2-enoxy]oxane
CID 169226637
2-(1,4,4-Trifluorobut-2-enoxy)oxane
CID 175473604
2-[(E)-2-methylpent-2-en-4-ynoxy]oxane
CID 10583524
2-(5-Prop-2-enoxypentoxy)oxane
CID 10900391

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane?
The IUPAC name of copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane (CID 127262300) is copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane.
What is the SMILES notation for copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane?
The canonical SMILES for copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane is [C-]#C/C=C/COC1CCCCO1.[Cu+].
What is the InChIKey of copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane?
The InChIKey is LMNDGSNHSPBWKC-WGCWOXMQSA-N. The full InChI is InChI=1S/C10H13O2.Cu/c1-2-3-5-8-11-10-7-4-6-9-12-10;/h3,5,10H,4,6-9H2;/q-1;+1/b5-3+;.
What are the key properties of copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane?
copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane has a molecular weight of 228.76 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-[(E)-pent-2-en-4-ynoxy]oxane is sourced from PubChem (CID 127262300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).