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

C9H16O2 — CID 129154762

IUPAC2-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1CCCCO1
InChIInChI=1S/C9H16O2/c1-2-6-10-8-9-5-3-4-7-11-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKeyIWSPUEQVYBCSMC-QHHAFSJGSA-N
MW156.23 g/mol
LogP2.11
Rot. Bonds3

About 2-[[(E)-prop-1-enoxy]methyl]oxane

2-[[(E)-prop-1-enoxy]methyl]oxane (PubChem CID 129154762) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]oxane.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]oxane
PubChem CID129154762
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1CCCCO1
InChIInChI=1S/C9H16O2/c1-2-6-10-8-9-5-3-4-7-11-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKeyIWSPUEQVYBCSMC-QHHAFSJGSA-N
XLogP2.11
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 ≤ 52.11
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 2-[[(E)-prop-1-enoxy]methyl]oxane?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]oxane (CID 129154762) is 2-[[(E)-prop-1-enoxy]methyl]oxane.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]oxane?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]oxane is C/C=C/OCC1CCCCO1.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]oxane?
The InChIKey is IWSPUEQVYBCSMC-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-6-10-8-9-5-3-4-7-11-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]oxane?
2-[[(E)-prop-1-enoxy]methyl]oxane has a molecular weight of 156.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]oxane is sourced from PubChem (CID 129154762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).