2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane

C14H22O3 — CID 134970787

IUPAC2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane
SMILESC#CC(C)(C)OC/C=C/COC1CCCCO1
InChIInChI=1S/C14H22O3/c1-4-14(2,3)17-12-8-7-11-16-13-9-5-6-10-15-13/h1,7-8,13H,5-6,9-12H2,2-3H3/b8-7+
InChIKeyKXPUSPDLXRPKES-BQYQJAHWSA-N
MW238.33 g/mol
LogP2.51
Rot. Bonds6

About 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane

2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane (PubChem CID 134970787) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane
PubChem CID134970787
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane
SMILESC#CC(C)(C)OC/C=C/COC1CCCCO1
InChIInChI=1S/C14H22O3/c1-4-14(2,3)17-12-8-7-11-16-13-9-5-6-10-15-13/h1,7-8,13H,5-6,9-12H2,2-3H3/b8-7+
InChIKeyKXPUSPDLXRPKES-BQYQJAHWSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(Z)-3-methylpent-2-en-4-ynoxy]oxane
CID 11063007
2-[(E)-3-methylpent-2-en-4-ynoxy]oxane
CID 14733015
2-[(E)-2-methylpent-2-en-4-ynoxy]oxane
CID 10583524
2-[(2E)-2-penten-4-ynyloxy]tetrahydro-2H-pyran
CID 11030189
2-[(Z)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane
CID 11499656
2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane
CID 100998297
2-[(E)-5-butyltellanyl-3-methylpent-2-en-4-ynoxy]oxane
CID 134894042
2-[(E)-2-but-3-ynoxy-4-[(E)-3-methoxyprop-1-enoxy]but-2-enoxy]oxane
CID 135074960
2-[(Z)-2-methoxypent-2-en-4-ynoxy]oxane
CID 139265701
2-[(Z)-2-butyltellanylpent-2-en-4-ynoxy]oxane
CID 139265703
2-But-2-enoxyoxane
CID 11744943

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane?
The IUPAC name of 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane (CID 134970787) is 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane is C#CC(C)(C)OC/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane?
The InChIKey is KXPUSPDLXRPKES-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-14(2,3)17-12-8-7-11-16-13-9-5-6-10-15-13/h1,7-8,13H,5-6,9-12H2,2-3H3/b8-7+.
What are the key properties of 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane?
2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane has a molecular weight of 238.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-(2-methylbut-3-yn-2-yloxy)but-2-enoxy]oxane is sourced from PubChem (CID 134970787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).