1,2-diethoxyethyne

C6H10O2 — CID 86259323

IUPAC1,2-diethoxyethyne
SMILESCCOC#COCC
InChIInChI=1S/C6H10O2/c1-3-7-5-6-8-4-2/h3-4H2,1-2H3
InChIKeyGVISMIMYZVLKTB-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.98
Rot. Bonds2

About 1,2-diethoxyethyne

1,2-diethoxyethyne (PubChem CID 86259323) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1,2-diethoxyethyne.

Molecular Properties

Compound Name1,2-diethoxyethyne
PubChem CID86259323
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1,2-diethoxyethyne
SMILESCCOC#COCC
InChIInChI=1S/C6H10O2/c1-3-7-5-6-8-4-2/h3-4H2,1-2H3
InChIKeyGVISMIMYZVLKTB-UHFFFAOYSA-N
XLogP0.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxyethyne?
The IUPAC name of 1,2-diethoxyethyne (CID 86259323) is 1,2-diethoxyethyne.
What is the SMILES notation for 1,2-diethoxyethyne?
The canonical SMILES for 1,2-diethoxyethyne is CCOC#COCC.
What is the InChIKey of 1,2-diethoxyethyne?
The InChIKey is GVISMIMYZVLKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-7-5-6-8-4-2/h3-4H2,1-2H3.
What are the key properties of 1,2-diethoxyethyne?
1,2-diethoxyethyne has a molecular weight of 114.14 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxyethyne is sourced from PubChem (CID 86259323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).