4-[(E)-prop-1-enoxy]oxane

C8H14O2 — CID 176603182

IUPAC4-[(E)-prop-1-enoxy]oxane
SMILESC/C=C/OC1CCOCC1
InChIInChI=1S/C8H14O2/c1-2-5-10-8-3-6-9-7-4-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyXVHIVAZPLRQBHM-GORDUTHDSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds2

About 4-[(E)-prop-1-enoxy]oxane

4-[(E)-prop-1-enoxy]oxane (PubChem CID 176603182) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-[(E)-prop-1-enoxy]oxane.

Molecular Properties

Compound Name4-[(E)-prop-1-enoxy]oxane
PubChem CID176603182
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-[(E)-prop-1-enoxy]oxane
SMILESC/C=C/OC1CCOCC1
InChIInChI=1S/C8H14O2/c1-2-5-10-8-3-6-9-7-4-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyXVHIVAZPLRQBHM-GORDUTHDSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Prop-1-enoxyoxane
CID 90717252
4-Prop-1-en-2-yloxyoxane
CID 134275485
2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
CID 176603110
4-(2-Methylprop-1-enoxy)oxane
CID 176604815
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604951
3-[(E)-prop-1-enoxy]oxane
CID 176605173
2-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176605307
4-(Cyclopropen-1-yloxy)oxane
CID 164918189

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enoxy]oxane?
The IUPAC name of 4-[(E)-prop-1-enoxy]oxane (CID 176603182) is 4-[(E)-prop-1-enoxy]oxane.
What is the SMILES notation for 4-[(E)-prop-1-enoxy]oxane?
The canonical SMILES for 4-[(E)-prop-1-enoxy]oxane is C/C=C/OC1CCOCC1.
What is the InChIKey of 4-[(E)-prop-1-enoxy]oxane?
The InChIKey is XVHIVAZPLRQBHM-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-5-10-8-3-6-9-7-4-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 4-[(E)-prop-1-enoxy]oxane?
4-[(E)-prop-1-enoxy]oxane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enoxy]oxane is sourced from PubChem (CID 176603182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).