3-(3-ethenoxypropyl)oxetane

C8H14O2 — CID 176603654

IUPAC3-(3-ethenoxypropyl)oxetane
SMILESC=COCCCC1COC1
InChIInChI=1S/C8H14O2/c1-2-9-5-3-4-8-6-10-7-8/h2,8H,1,3-7H2
InChIKeyKDEUQZWNVQSSOP-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds5

About 3-(3-ethenoxypropyl)oxetane

3-(3-ethenoxypropyl)oxetane (PubChem CID 176603654) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)oxetane.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)oxetane
PubChem CID176603654
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(3-ethenoxypropyl)oxetane
SMILESC=COCCCC1COC1
InChIInChI=1S/C8H14O2/c1-2-9-5-3-4-8-6-10-7-8/h2,8H,1,3-7H2
InChIKeyKDEUQZWNVQSSOP-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-Ethenoxypropyl)-3-methyloxetane
CID 140130454
1,5-Bis(ethenoxy)-2,4-dimethylpentane
CID 140286820
2-(2-Ethenoxyethyl)-3-methyloxetane
CID 141483499

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenoxypropyl)oxetane?
The IUPAC name of 3-(3-ethenoxypropyl)oxetane (CID 176603654) is 3-(3-ethenoxypropyl)oxetane.
What is the SMILES notation for 3-(3-ethenoxypropyl)oxetane?
The canonical SMILES for 3-(3-ethenoxypropyl)oxetane is C=COCCCC1COC1.
What is the InChIKey of 3-(3-ethenoxypropyl)oxetane?
The InChIKey is KDEUQZWNVQSSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-9-5-3-4-8-6-10-7-8/h2,8H,1,3-7H2.
What are the key properties of 3-(3-ethenoxypropyl)oxetane?
3-(3-ethenoxypropyl)oxetane has a molecular weight of 142.20 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)oxetane is sourced from PubChem (CID 176603654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).