2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane

C10H18O3 — CID 176604455

IUPAC2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
SMILESC/C=C/OCCCC1COCCO1
InChIInChI=1S/C10H18O3/c1-2-5-11-6-3-4-10-9-12-7-8-13-10/h2,5,10H,3-4,6-9H2,1H3/b5-2+
InChIKeyOVLWHTJQOYZJDV-GORDUTHDSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds5

About 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane

2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane (PubChem CID 176604455) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
PubChem CID176604455
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
SMILESC/C=C/OCCCC1COCCO1
InChIInChI=1S/C10H18O3/c1-2-5-11-6-3-4-10-9-12-7-8-13-10/h2,5,10H,3-4,6-9H2,1H3/b5-2+
InChIKeyOVLWHTJQOYZJDV-GORDUTHDSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
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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Related Compounds

2-(Prop-1-enoxymethyl)oxolane
CID 118967351
2-[[(E)-prop-1-enoxy]methyl]oxane
CID 129154762
2-Methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
CID 150894005
3-Penta-1,3-dienoxyoxane
CID 173344066
2-[3-(2-Methylprop-1-enoxy)propyl]-1,4-dioxane
CID 176603280
3-(2-Methylprop-1-enoxy)oxane
CID 176604011
2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176604023
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604951
2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176605039
3-[(E)-prop-1-enoxy]oxane
CID 176605173
2-(3-Ethenoxypropyl)-1,4-dioxane
CID 176605355

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane?
The IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane (CID 176604455) is 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane.
What is the SMILES notation for 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane?
The canonical SMILES for 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane is C/C=C/OCCCC1COCCO1.
What is the InChIKey of 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane?
The InChIKey is OVLWHTJQOYZJDV-GORDUTHDSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-5-11-6-3-4-10-9-12-7-8-13-10/h2,5,10H,3-4,6-9H2,1H3/b5-2+.
What are the key properties of 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane?
2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane is sourced from PubChem (CID 176604455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).