2-(3-ethenoxypropyl)oxolane

C9H16O2 — CID 176603602

IUPAC2-(3-ethenoxypropyl)oxolane
SMILESC=COCCCC1CCCO1
InChIInChI=1S/C9H16O2/c1-2-10-7-3-5-9-6-4-8-11-9/h2,9H,1,3-8H2
InChIKeyGLQZXRNOUVIKQG-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds5

About 2-(3-ethenoxypropyl)oxolane

2-(3-ethenoxypropyl)oxolane (PubChem CID 176603602) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)oxolane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)oxolane
PubChem CID176603602
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(3-ethenoxypropyl)oxolane
SMILESC=COCCCC1CCCO1
InChIInChI=1S/C9H16O2/c1-2-10-7-3-5-9-6-4-8-11-9/h2,9H,1,3-8H2
InChIKeyGLQZXRNOUVIKQG-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Methoxypropyl)oxolane
CID 13763956
Ethenoxyethene;2-propyloxolane
CID 18405802
1,4,7-Tris(ethenoxy)heptane
CID 88253973
2,5-Bis(ethenoxy)heptane
CID 89104177
1,4-Bis(ethenoxy)heptane
CID 89148003
2-(2-Ethenoxyethyl)oxolane
CID 141368847
2-(3-Ethenoxypropyl)oxane
CID 156762693
2-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176603037
2-(3-Ethenoxypropyl)oxocane
CID 176603994

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)oxolane?
The IUPAC name of 2-(3-ethenoxypropyl)oxolane (CID 176603602) is 2-(3-ethenoxypropyl)oxolane.
What is the SMILES notation for 2-(3-ethenoxypropyl)oxolane?
The canonical SMILES for 2-(3-ethenoxypropyl)oxolane is C=COCCCC1CCCO1.
What is the InChIKey of 2-(3-ethenoxypropyl)oxolane?
The InChIKey is GLQZXRNOUVIKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-10-7-3-5-9-6-4-8-11-9/h2,9H,1,3-8H2.
What are the key properties of 2-(3-ethenoxypropyl)oxolane?
2-(3-ethenoxypropyl)oxolane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)oxolane is sourced from PubChem (CID 176603602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).