3-(3-ethenoxypropyl)oxolane

C9H16O2 — CID 176605175

IUPAC3-(3-ethenoxypropyl)oxolane
SMILESC=COCCCC1CCOC1
InChIInChI=1S/C9H16O2/c1-2-10-6-3-4-9-5-7-11-8-9/h2,9H,1,3-8H2
InChIKeyMPPYOPHWYWVXPZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds5

About 3-(3-ethenoxypropyl)oxolane

3-(3-ethenoxypropyl)oxolane (PubChem CID 176605175) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)oxolane.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)oxolane
PubChem CID176605175
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(3-ethenoxypropyl)oxolane
SMILESC=COCCCC1CCOC1
InChIInChI=1S/C9H16O2/c1-2-10-6-3-4-9-5-7-11-8-9/h2,9H,1,3-8H2
InChIKeyMPPYOPHWYWVXPZ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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

1,3-Bis(ethenoxymethyl)cyclopentane
CID 89780804
3,5-Bis(ethenoxymethyl)heptane
CID 118205838
3-(2-Ethenoxyethyl)oxolane
CID 176603345
3-(3-Ethenoxypropyl)oxane
CID 176603417
2-(Ethenoxymethyl)-2-ethyloxolane
CID 176604059
3-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176604361
3-(3-Ethenoxypropyl)-3-ethyloxolane
CID 176604524
3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605243

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenoxypropyl)oxolane?
The IUPAC name of 3-(3-ethenoxypropyl)oxolane (CID 176605175) is 3-(3-ethenoxypropyl)oxolane.
What is the SMILES notation for 3-(3-ethenoxypropyl)oxolane?
The canonical SMILES for 3-(3-ethenoxypropyl)oxolane is C=COCCCC1CCOC1.
What is the InChIKey of 3-(3-ethenoxypropyl)oxolane?
The InChIKey is MPPYOPHWYWVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-10-6-3-4-9-5-7-11-8-9/h2,9H,1,3-8H2.
What are the key properties of 3-(3-ethenoxypropyl)oxolane?
3-(3-ethenoxypropyl)oxolane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)oxolane is sourced from PubChem (CID 176605175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).