1-ethenoxy-1,2-diethoxyethane

C8H16O3 — CID 91393254

IUPAC1-ethenoxy-1,2-diethoxyethane
SMILESC=COC(COCC)OCC
InChIInChI=1S/C8H16O3/c1-4-9-7-8(10-5-2)11-6-3/h5,8H,2,4,6-7H2,1,3H3
InChIKeyDLUSWWBJXZRVPB-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.55
Rot. Bonds7

About 1-ethenoxy-1,2-diethoxyethane

1-ethenoxy-1,2-diethoxyethane (PubChem CID 91393254) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-ethenoxy-1,2-diethoxyethane.

Molecular Properties

Compound Name1-ethenoxy-1,2-diethoxyethane
PubChem CID91393254
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-ethenoxy-1,2-diethoxyethane
SMILESC=COC(COCC)OCC
InChIInChI=1S/C8H16O3/c1-4-9-7-8(10-5-2)11-6-3/h5,8H,2,4,6-7H2,1,3H3
InChIKeyDLUSWWBJXZRVPB-UHFFFAOYSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,2-diethoxyethane?
The IUPAC name of 1-ethenoxy-1,2-diethoxyethane (CID 91393254) is 1-ethenoxy-1,2-diethoxyethane.
What is the SMILES notation for 1-ethenoxy-1,2-diethoxyethane?
The canonical SMILES for 1-ethenoxy-1,2-diethoxyethane is C=COC(COCC)OCC.
What is the InChIKey of 1-ethenoxy-1,2-diethoxyethane?
The InChIKey is DLUSWWBJXZRVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-9-7-8(10-5-2)11-6-3/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 1-ethenoxy-1,2-diethoxyethane?
1-ethenoxy-1,2-diethoxyethane has a molecular weight of 160.21 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,2-diethoxyethane is sourced from PubChem (CID 91393254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).