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

C8H14O2 — CID 176605173

IUPAC3-[(E)-prop-1-enoxy]oxane
SMILESC/C=C/OC1CCCOC1
InChIInChI=1S/C8H14O2/c1-2-5-10-8-4-3-6-9-7-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyZFWILTNTFDPMHH-GORDUTHDSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds2

About 3-[(E)-prop-1-enoxy]oxane

3-[(E)-prop-1-enoxy]oxane (PubChem CID 176605173) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[(E)-prop-1-enoxy]oxane.

Molecular Properties

Compound Name3-[(E)-prop-1-enoxy]oxane
PubChem CID176605173
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-[(E)-prop-1-enoxy]oxane
SMILESC/C=C/OC1CCCOC1
InChIInChI=1S/C8H14O2/c1-2-5-10-8-4-3-6-9-7-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+
InChIKeyZFWILTNTFDPMHH-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

2-(ethoxymethyl)-3,4-dihydro-2H-pyran
CID 58639907
2-((2-ethoxyethoxy)methyl)-3,4-dihydro-2H-pyran
CID 15583444
2-(butoxymethyl)-3,4-dihydro-2H-pyran
CID 68045798
4-Prop-1-enoxyoxane
CID 90717252
2-[[(E)-prop-1-enoxy]methyl]oxane
CID 129154762
3-Penta-1,3-dienoxyoxane
CID 173344066
2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
CID 176603110
4-[(E)-prop-1-enoxy]oxane
CID 176603182
2-[1-[(E)-prop-1-enoxy]ethyl]oxane
CID 176603241
3-(2-Methylprop-1-enoxy)oxane
CID 176604011
2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604455
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604951

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enoxy]oxane?
The IUPAC name of 3-[(E)-prop-1-enoxy]oxane (CID 176605173) is 3-[(E)-prop-1-enoxy]oxane.
What is the SMILES notation for 3-[(E)-prop-1-enoxy]oxane?
The canonical SMILES for 3-[(E)-prop-1-enoxy]oxane is C/C=C/OC1CCCOC1.
What is the InChIKey of 3-[(E)-prop-1-enoxy]oxane?
The InChIKey is ZFWILTNTFDPMHH-GORDUTHDSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-5-10-8-4-3-6-9-7-8/h2,5,8H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 3-[(E)-prop-1-enoxy]oxane?
3-[(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 3-[(E)-prop-1-enoxy]oxane is sourced from PubChem (CID 176605173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).