3-(2-ethoxyethoxy)but-1-yne

C8H14O2 — CID 15146722

IUPAC3-(2-ethoxyethoxy)but-1-yne
SMILESC#CC(C)OCCOCC
InChIInChI=1S/C8H14O2/c1-4-8(3)10-7-6-9-5-2/h1,8H,5-7H2,2-3H3
InChIKeyFEBYXJDIGDUROP-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.06
Rot. Bonds5

About 3-(2-ethoxyethoxy)but-1-yne

3-(2-ethoxyethoxy)but-1-yne (PubChem CID 15146722) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)but-1-yne.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)but-1-yne
PubChem CID15146722
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(2-ethoxyethoxy)but-1-yne
SMILESC#CC(C)OCCOCC
InChIInChI=1S/C8H14O2/c1-4-8(3)10-7-6-9-5-2/h1,8H,5-7H2,2-3H3
InChIKeyFEBYXJDIGDUROP-UHFFFAOYSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethoxy)but-1-yne 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 3-(2-ethoxyethoxy)but-1-yne?
The IUPAC name of 3-(2-ethoxyethoxy)but-1-yne (CID 15146722) is 3-(2-ethoxyethoxy)but-1-yne.
What is the SMILES notation for 3-(2-ethoxyethoxy)but-1-yne?
The canonical SMILES for 3-(2-ethoxyethoxy)but-1-yne is C#CC(C)OCCOCC.
What is the InChIKey of 3-(2-ethoxyethoxy)but-1-yne?
The InChIKey is FEBYXJDIGDUROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-8(3)10-7-6-9-5-2/h1,8H,5-7H2,2-3H3.
What are the key properties of 3-(2-ethoxyethoxy)but-1-yne?
3-(2-ethoxyethoxy)but-1-yne has a molecular weight of 142.20 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)but-1-yne is sourced from PubChem (CID 15146722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).