3-(1-ethenoxyethyl)oxolane

C8H14O2 — CID 176603704

IUPAC3-(1-ethenoxyethyl)oxolane
SMILESC=COC(C)C1CCOC1
InChIInChI=1S/C8H14O2/c1-3-10-7(2)8-4-5-9-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyUXXFTQPTVARNJD-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds3

About 3-(1-ethenoxyethyl)oxolane

3-(1-ethenoxyethyl)oxolane (PubChem CID 176603704) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(1-ethenoxyethyl)oxolane.

Molecular Properties

Compound Name3-(1-ethenoxyethyl)oxolane
PubChem CID176603704
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(1-ethenoxyethyl)oxolane
SMILESC=COC(C)C1CCOC1
InChIInChI=1S/C8H14O2/c1-3-10-7(2)8-4-5-9-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyUXXFTQPTVARNJD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenoxyethyl)oxolane?
The IUPAC name of 3-(1-ethenoxyethyl)oxolane (CID 176603704) is 3-(1-ethenoxyethyl)oxolane.
What is the SMILES notation for 3-(1-ethenoxyethyl)oxolane?
The canonical SMILES for 3-(1-ethenoxyethyl)oxolane is C=COC(C)C1CCOC1.
What is the InChIKey of 3-(1-ethenoxyethyl)oxolane?
The InChIKey is UXXFTQPTVARNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-10-7(2)8-4-5-9-6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-(1-ethenoxyethyl)oxolane?
3-(1-ethenoxyethyl)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-(1-ethenoxyethyl)oxolane is sourced from PubChem (CID 176603704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).