1-[2-(2-propoxyethenoxy)ethenoxy]propane

C10H18O3 — CID 90807044

IUPAC1-[2-(2-propoxyethenoxy)ethenoxy]propane
SMILESCCCOC=COC=COCCC
InChIInChI=1S/C10H18O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-10H,3-6H2,1-2H3
InChIKeyUXMYOQSOODUQEY-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.80
Rot. Bonds8

About 1-[2-(2-propoxyethenoxy)ethenoxy]propane

1-[2-(2-propoxyethenoxy)ethenoxy]propane (PubChem CID 90807044) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[2-(2-propoxyethenoxy)ethenoxy]propane.

Molecular Properties

Compound Name1-[2-(2-propoxyethenoxy)ethenoxy]propane
PubChem CID90807044
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-[2-(2-propoxyethenoxy)ethenoxy]propane
SMILESCCCOC=COC=COCCC
InChIInChI=1S/C10H18O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-10H,3-6H2,1-2H3
InChIKeyUXMYOQSOODUQEY-UHFFFAOYSA-N
XLogP2.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propoxyethenoxy)ethenoxy]propane?
The IUPAC name of 1-[2-(2-propoxyethenoxy)ethenoxy]propane (CID 90807044) is 1-[2-(2-propoxyethenoxy)ethenoxy]propane.
What is the SMILES notation for 1-[2-(2-propoxyethenoxy)ethenoxy]propane?
The canonical SMILES for 1-[2-(2-propoxyethenoxy)ethenoxy]propane is CCCOC=COC=COCCC.
What is the InChIKey of 1-[2-(2-propoxyethenoxy)ethenoxy]propane?
The InChIKey is UXMYOQSOODUQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-propoxyethenoxy)ethenoxy]propane?
1-[2-(2-propoxyethenoxy)ethenoxy]propane has a molecular weight of 186.25 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propoxyethenoxy)ethenoxy]propane is sourced from PubChem (CID 90807044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).