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

C9H16O3 — CID 176605039

IUPAC2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
SMILESC/C=C/OCCC1COCCO1
InChIInChI=1S/C9H16O3/c1-2-4-10-5-3-9-8-11-6-7-12-9/h2,4,9H,3,5-8H2,1H3/b4-2+
InChIKeyOUIKFQBYGJRMKZ-DUXPYHPUSA-N
MW172.22 g/mol
LogP1.34
Rot. Bonds4

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

2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane (PubChem CID 176605039) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
PubChem CID176605039
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
SMILESC/C=C/OCCC1COCCO1
InChIInChI=1S/C9H16O3/c1-2-4-10-5-3-9-8-11-6-7-12-9/h2,4,9H,3,5-8H2,1H3/b4-2+
InChIKeyOUIKFQBYGJRMKZ-DUXPYHPUSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
3,4-Bis(prop-1-enoxy)oxolane
CID 54398975
1,2,3,4-Tetrakis(prop-1-enoxy)butane
CID 54519891
1-Prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane
CID 87865650
1,2-Bis(prop-1-enoxy)butane
CID 87913408
1-butoxy-2-[(Z)-prop-1-enoxy]butane
CID 88272789
2-[[(E)-prop-1-enoxy]methyl]oxane
CID 129154762
2-(4-Prop-1-enoxybutoxymethyl)oxirane
CID 139917764
1-(2-Propan-2-yloxyethoxy)prop-1-ene
CID 139983709

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane?
The IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane (CID 176605039) is 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane?
The canonical SMILES for 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane is C/C=C/OCCC1COCCO1.
What is the InChIKey of 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane?
The InChIKey is OUIKFQBYGJRMKZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-4-10-5-3-9-8-11-6-7-12-9/h2,4,9H,3,5-8H2,1H3/b4-2+.
What are the key properties of 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane?
2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane has a molecular weight of 172.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane is sourced from PubChem (CID 176605039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).