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

C9H16O2 — CID 176603447

IUPAC4-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1CCOCC1
InChIInChI=1S/C9H16O2/c1-2-5-11-8-9-3-6-10-7-4-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyGIAIMVVBZMBJFH-GORDUTHDSA-N
MW156.23 g/mol
LogP1.96
Rot. Bonds3

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

4-[[(E)-prop-1-enoxy]methyl]oxane (PubChem CID 176603447) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-[[(E)-prop-1-enoxy]methyl]oxane.

Molecular Properties

Compound Name4-[[(E)-prop-1-enoxy]methyl]oxane
PubChem CID176603447
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name4-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1CCOCC1
InChIInChI=1S/C9H16O2/c1-2-5-11-8-9-3-6-10-7-4-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyGIAIMVVBZMBJFH-GORDUTHDSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-prop-1-enoxy]methyl]oxane?
The IUPAC name of 4-[[(E)-prop-1-enoxy]methyl]oxane (CID 176603447) is 4-[[(E)-prop-1-enoxy]methyl]oxane.
What is the SMILES notation for 4-[[(E)-prop-1-enoxy]methyl]oxane?
The canonical SMILES for 4-[[(E)-prop-1-enoxy]methyl]oxane is C/C=C/OCC1CCOCC1.
What is the InChIKey of 4-[[(E)-prop-1-enoxy]methyl]oxane?
The InChIKey is GIAIMVVBZMBJFH-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-5-11-8-9-3-6-10-7-4-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of 4-[[(E)-prop-1-enoxy]methyl]oxane?
4-[[(E)-prop-1-enoxy]methyl]oxane has a molecular weight of 156.23 g/mol, XLogP of 1.96, 3 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]methyl]oxane is sourced from PubChem (CID 176603447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).