3-[[(E)-prop-1-enoxy]methyl]oxolane

C8H14O2 — CID 176604696

IUPAC3-[[(E)-prop-1-enoxy]methyl]oxolane
SMILESC/C=C/OCC1CCOC1
InChIInChI=1S/C8H14O2/c1-2-4-9-6-8-3-5-10-7-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyUIADHHLHTNYVMX-DUXPYHPUSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds3

About 3-[[(E)-prop-1-enoxy]methyl]oxolane

3-[[(E)-prop-1-enoxy]methyl]oxolane (PubChem CID 176604696) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[[(E)-prop-1-enoxy]methyl]oxolane.

Molecular Properties

Compound Name3-[[(E)-prop-1-enoxy]methyl]oxolane
PubChem CID176604696
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-[[(E)-prop-1-enoxy]methyl]oxolane
SMILESC/C=C/OCC1CCOC1
InChIInChI=1S/C8H14O2/c1-2-4-9-6-8-3-5-10-7-8/h2,4,8H,3,5-7H2,1H3/b4-2+
InChIKeyUIADHHLHTNYVMX-DUXPYHPUSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.57
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

3-(2-Methylprop-1-enoxymethyl)oxolane
CID 140168911
3-(Prop-1-en-2-yloxymethyl)oxolane
CID 148323114
3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603529
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]oxolane?
The IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]oxolane (CID 176604696) is 3-[[(E)-prop-1-enoxy]methyl]oxolane.
What is the SMILES notation for 3-[[(E)-prop-1-enoxy]methyl]oxolane?
The canonical SMILES for 3-[[(E)-prop-1-enoxy]methyl]oxolane is C/C=C/OCC1CCOC1.
What is the InChIKey of 3-[[(E)-prop-1-enoxy]methyl]oxolane?
The InChIKey is UIADHHLHTNYVMX-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-9-6-8-3-5-10-7-8/h2,4,8H,3,5-7H2,1H3/b4-2+.
What are the key properties of 3-[[(E)-prop-1-enoxy]methyl]oxolane?
3-[[(E)-prop-1-enoxy]methyl]oxolane has a molecular weight of 142.20 g/mol, XLogP of 1.57, 3 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]methyl]oxolane is sourced from PubChem (CID 176604696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).