3-but-3-enoxy-3-ethyloxetane

C9H16O2 — CID 118482955

IUPAC3-but-3-enoxy-3-ethyloxetane
SMILESC=CCCOC1(CC)COC1
InChIInChI=1S/C9H16O2/c1-3-5-6-11-9(4-2)7-10-8-9/h3H,1,4-8H2,2H3
InChIKeyZLVPYYOQQWNBPE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds5

About 3-but-3-enoxy-3-ethyloxetane

3-but-3-enoxy-3-ethyloxetane (PubChem CID 118482955) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-but-3-enoxy-3-ethyloxetane.

Molecular Properties

Compound Name3-but-3-enoxy-3-ethyloxetane
PubChem CID118482955
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-but-3-enoxy-3-ethyloxetane
SMILESC=CCCOC1(CC)COC1
InChIInChI=1S/C9H16O2/c1-3-5-6-11-9(4-2)7-10-8-9/h3H,1,4-8H2,2H3
InChIKeyZLVPYYOQQWNBPE-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-3-ethyloxetane?
The IUPAC name of 3-but-3-enoxy-3-ethyloxetane (CID 118482955) is 3-but-3-enoxy-3-ethyloxetane.
What is the SMILES notation for 3-but-3-enoxy-3-ethyloxetane?
The canonical SMILES for 3-but-3-enoxy-3-ethyloxetane is C=CCCOC1(CC)COC1.
What is the InChIKey of 3-but-3-enoxy-3-ethyloxetane?
The InChIKey is ZLVPYYOQQWNBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-11-9(4-2)7-10-8-9/h3H,1,4-8H2,2H3.
What are the key properties of 3-but-3-enoxy-3-ethyloxetane?
3-but-3-enoxy-3-ethyloxetane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxy-3-ethyloxetane is sourced from PubChem (CID 118482955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).