2-(2-but-2-enoxyethoxy)oxane

C11H20O3 — CID 57125632

IUPAC2-(2-but-2-enoxyethoxy)oxane
SMILESCC=CCOCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c1-2-3-7-12-9-10-14-11-6-4-5-8-13-11/h2-3,11H,4-10H2,1H3
InChIKeyZGBPYNDDFVNFOT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-but-2-enoxyethoxy)oxane

2-(2-but-2-enoxyethoxy)oxane (PubChem CID 57125632) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-but-2-enoxyethoxy)oxane.

Molecular Properties

Compound Name2-(2-but-2-enoxyethoxy)oxane
PubChem CID57125632
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(2-but-2-enoxyethoxy)oxane
SMILESCC=CCOCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c1-2-3-7-12-9-10-14-11-6-4-5-8-13-11/h2-3,11H,4-10H2,1H3
InChIKeyZGBPYNDDFVNFOT-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-but-2-enoxyethoxy)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-2-enoxyethoxy)oxane?
The IUPAC name of 2-(2-but-2-enoxyethoxy)oxane (CID 57125632) is 2-(2-but-2-enoxyethoxy)oxane.
What is the SMILES notation for 2-(2-but-2-enoxyethoxy)oxane?
The canonical SMILES for 2-(2-but-2-enoxyethoxy)oxane is CC=CCOCCOC1CCCCO1.
What is the InChIKey of 2-(2-but-2-enoxyethoxy)oxane?
The InChIKey is ZGBPYNDDFVNFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-7-12-9-10-14-11-6-4-5-8-13-11/h2-3,11H,4-10H2,1H3.
What are the key properties of 2-(2-but-2-enoxyethoxy)oxane?
2-(2-but-2-enoxyethoxy)oxane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-2-enoxyethoxy)oxane is sourced from PubChem (CID 57125632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).