1,2-diethynoxyethane

C6H6O2 — CID 13432145

IUPAC1,2-diethynoxyethane
SMILESC#COCCOC#C
InChIInChI=1S/C6H6O2/c1-3-7-5-6-8-4-2/h1-2H,5-6H2
InChIKeyDOXXFDWFPVTFIW-UHFFFAOYSA-N
MW110.11 g/mol
LogP0.20
Rot. Bonds3

About 1,2-diethynoxyethane

1,2-diethynoxyethane (PubChem CID 13432145) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is 1,2-diethynoxyethane.

Molecular Properties

Compound Name1,2-diethynoxyethane
PubChem CID13432145
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name1,2-diethynoxyethane
SMILESC#COCCOC#C
InChIInChI=1S/C6H6O2/c1-3-7-5-6-8-4-2/h1-2H,5-6H2
InChIKeyDOXXFDWFPVTFIW-UHFFFAOYSA-N
XLogP0.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 50.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethynoxyethane?
The IUPAC name of 1,2-diethynoxyethane (CID 13432145) is 1,2-diethynoxyethane.
What is the SMILES notation for 1,2-diethynoxyethane?
The canonical SMILES for 1,2-diethynoxyethane is C#COCCOC#C.
What is the InChIKey of 1,2-diethynoxyethane?
The InChIKey is DOXXFDWFPVTFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c1-3-7-5-6-8-4-2/h1-2H,5-6H2.
What are the key properties of 1,2-diethynoxyethane?
1,2-diethynoxyethane has a molecular weight of 110.11 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethynoxyethane is sourced from PubChem (CID 13432145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).