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

C9H16O3 — CID 176604951

IUPAC2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
SMILESC/C=C/OC(C)C1COCCO1
InChIInChI=1S/C9H16O3/c1-3-4-11-8(2)9-7-10-5-6-12-9/h3-4,8-9H,5-7H2,1-2H3/b4-3+
InChIKeyFTTURYVELXTXTM-ONEGZZNKSA-N
MW172.22 g/mol
LogP1.34
Rot. Bonds3

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

2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane (PubChem CID 176604951) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
PubChem CID176604951
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
SMILESC/C=C/OC(C)C1COCCO1
InChIInChI=1S/C9H16O3/c1-3-4-11-8(2)9-7-10-5-6-12-9/h3-4,8-9H,5-7H2,1-2H3/b4-3+
InChIKeyFTTURYVELXTXTM-ONEGZZNKSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-Tris(1-propenoxy)propane
CID 53719872
6-Methyl-2-(1-propenyloxymethyl)-2,3-dihydro-1,4-dioxine
CID 129742042
6-Methyl-2-[2-(vinyloxy)ethoxymethyl]-2,3-dihydro-1,4-dioxine
CID 129742258
1,2,3-tris[(E)-prop-1-enoxy]propane
CID 22051876
1,2-Bis(prop-1-enoxy)propane
CID 53967680
3,4-Bis(prop-1-enoxy)oxolane
CID 54398975
1-(2-Prop-1-enoxyethoxy)butane
CID 87248533
1-Prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane
CID 87865650
1,3-Bis(prop-1-enoxy)butane
CID 87913392
1,2-Bis(prop-1-enoxy)butane
CID 87913408
1-butoxy-2-[(Z)-prop-1-enoxy]butane
CID 88272789
4-Prop-1-enoxyoxane
CID 90717252

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane?
The IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane (CID 176604951) is 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane?
The canonical SMILES for 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane is C/C=C/OC(C)C1COCCO1.
What is the InChIKey of 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane?
The InChIKey is FTTURYVELXTXTM-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-4-11-8(2)9-7-10-5-6-12-9/h3-4,8-9H,5-7H2,1-2H3/b4-3+.
What are the key properties of 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane?
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane has a molecular weight of 172.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane is sourced from PubChem (CID 176604951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).