1-ethynoxy-2-methoxyethane

C5H8O2 — CID 87059873

IUPAC1-ethynoxy-2-methoxyethane
SMILESC#COCCOC
InChIInChI=1S/C5H8O2/c1-3-7-5-4-6-2/h1H,4-5H2,2H3
InChIKeyIAMIJACRZDWVKJ-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.24
Rot. Bonds3

About 1-ethynoxy-2-methoxyethane

1-ethynoxy-2-methoxyethane (PubChem CID 87059873) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-ethynoxy-2-methoxyethane.

Molecular Properties

Compound Name1-ethynoxy-2-methoxyethane
PubChem CID87059873
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name1-ethynoxy-2-methoxyethane
SMILESC#COCCOC
InChIInChI=1S/C5H8O2/c1-3-7-5-4-6-2/h1H,4-5H2,2H3
InChIKeyIAMIJACRZDWVKJ-UHFFFAOYSA-N
XLogP0.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.24
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 1-ethynoxy-2-methoxyethane 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

1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
2-ethynoxyethyl 2-methylprop-2-enoate
CID 87755893
1,2-dimethoxyethane;niobium;hydrochloride
CID 88933065
magnesium;1,2-dimethoxyethane;dichloride
CID 174702876
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
barium(2+);1,2-dimethoxyethane;dibromide
CID 173394585
triethynyl(2-methoxyethoxy)silane
CID 18410585
1-ethoxy-1-(2-ethynoxyethoxy)ethane
CID 87377634
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;N-methylmethanamine
CID 175177446

Frequently Asked Questions

What is the IUPAC name of 1-ethynoxy-2-methoxyethane?
The IUPAC name of 1-ethynoxy-2-methoxyethane (CID 87059873) is 1-ethynoxy-2-methoxyethane.
What is the SMILES notation for 1-ethynoxy-2-methoxyethane?
The canonical SMILES for 1-ethynoxy-2-methoxyethane is C#COCCOC.
What is the InChIKey of 1-ethynoxy-2-methoxyethane?
The InChIKey is IAMIJACRZDWVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-7-5-4-6-2/h1H,4-5H2,2H3.
What are the key properties of 1-ethynoxy-2-methoxyethane?
1-ethynoxy-2-methoxyethane has a molecular weight of 100.12 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynoxy-2-methoxyethane is sourced from PubChem (CID 87059873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).