2-[(E)-3-methylpent-2-en-4-ynoxy]oxane

C11H16O2 — CID 14733015

IUPAC2-[(E)-3-methylpent-2-en-4-ynoxy]oxane
SMILESC#C/C(C)=C/COC1CCCCO1
InChIInChI=1S/C11H16O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h1,7,11H,4-6,8-9H2,2H3/b10-7+
InChIKeyMUXTZDPHOBMQMM-JXMROGBWSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds3

About 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane

2-[(E)-3-methylpent-2-en-4-ynoxy]oxane (PubChem CID 14733015) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane.

Molecular Properties

Compound Name2-[(E)-3-methylpent-2-en-4-ynoxy]oxane
PubChem CID14733015
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(E)-3-methylpent-2-en-4-ynoxy]oxane
SMILESC#C/C(C)=C/COC1CCCCO1
InChIInChI=1S/C11H16O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h1,7,11H,4-6,8-9H2,2H3/b10-7+
InChIKeyMUXTZDPHOBMQMM-JXMROGBWSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-3-methylpent-2-en-4-ynoxy]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-((2-Methyl-2-propenyl)oxy)tetrahydro-2H-pyran
CID 376761
2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(E)-2-methylbut-2-enoxy]tetrahydropyran
CID 12623536
2-[(Z)-3-methylpent-2-en-4-ynoxy]oxane
CID 11063007
5-(1-Ethoxyethoxy)-3-methylpent-3-en-1-yne
CID 53400851
2-[(E)-2-methylpent-2-en-4-ynoxy]oxane
CID 10583524
3-Iodo-2-(3-methylbut-2-enoxy)oxane
CID 10891766
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
(2S,3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane
CID 11609054
2-[(Z)-2-methylbut-2-enoxy]oxane
CID 12623535
2-[(2E,6Z)-3-methyltetradeca-2,6-dien-4,8-diynoxy]oxane
CID 100998297

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane?
The IUPAC name of 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane (CID 14733015) is 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane.
What is the SMILES notation for 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane?
The canonical SMILES for 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane is C#C/C(C)=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane?
The InChIKey is MUXTZDPHOBMQMM-JXMROGBWSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h1,7,11H,4-6,8-9H2,2H3/b10-7+.
What are the key properties of 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane?
2-[(E)-3-methylpent-2-en-4-ynoxy]oxane has a molecular weight of 180.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylpent-2-en-4-ynoxy]oxane is sourced from PubChem (CID 14733015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).