2-ethenoxy-1,3-dimethoxypropane

C7H14O3 — CID 87172817

IUPAC2-ethenoxy-1,3-dimethoxypropane
SMILESC=COC(COC)COC
InChIInChI=1S/C7H14O3/c1-4-10-7(5-8-2)6-9-3/h4,7H,1,5-6H2,2-3H3
InChIKeyXXDOJGXVULFMHA-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.81
Rot. Bonds6

About 2-ethenoxy-1,3-dimethoxypropane

2-ethenoxy-1,3-dimethoxypropane (PubChem CID 87172817) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethenoxy-1,3-dimethoxypropane.

Molecular Properties

Compound Name2-ethenoxy-1,3-dimethoxypropane
PubChem CID87172817
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-ethenoxy-1,3-dimethoxypropane
SMILESC=COC(COC)COC
InChIInChI=1S/C7H14O3/c1-4-10-7(5-8-2)6-9-3/h4,7H,1,5-6H2,2-3H3
InChIKeyXXDOJGXVULFMHA-UHFFFAOYSA-N
XLogP0.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1,3-dimethoxypropane?
The IUPAC name of 2-ethenoxy-1,3-dimethoxypropane (CID 87172817) is 2-ethenoxy-1,3-dimethoxypropane.
What is the SMILES notation for 2-ethenoxy-1,3-dimethoxypropane?
The canonical SMILES for 2-ethenoxy-1,3-dimethoxypropane is C=COC(COC)COC.
What is the InChIKey of 2-ethenoxy-1,3-dimethoxypropane?
The InChIKey is XXDOJGXVULFMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-10-7(5-8-2)6-9-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenoxy-1,3-dimethoxypropane?
2-ethenoxy-1,3-dimethoxypropane has a molecular weight of 146.19 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1,3-dimethoxypropane is sourced from PubChem (CID 87172817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).