3-ethenyloxetan-3-ol

C5H8O2 — CID 53484283

IUPAC3-ethenyloxetan-3-ol
SMILESC=CC1(O)COC1
InChIInChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h2,6H,1,3-4H2
InChIKeyIRTNICKAXISCBY-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.07
Rot. Bonds1

About 3-ethenyloxetan-3-ol

3-ethenyloxetan-3-ol (PubChem CID 53484283) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-ethenyloxetan-3-ol.

Molecular Properties

Compound Name3-ethenyloxetan-3-ol
PubChem CID53484283
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3-ethenyloxetan-3-ol
SMILESC=CC1(O)COC1
InChIInChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h2,6H,1,3-4H2
InChIKeyIRTNICKAXISCBY-UHFFFAOYSA-N
XLogP-0.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Divinyl diethylene glycol
CID 87258459
2-(3-Ethenyloxetan-3-yl)oxyethanol
CID 162405959
1-Methoxy-2-methylbut-3-en-2-ol
CID 10103149
1-Ethoxy-2-methylbut-3-en-2-ol
CID 116248011
3-[(E)-prop-1-enyl]oxetan-3-ol
CID 139383422
3-Propa-1,2-dienyloxetan-3-ol
CID 141758020
3-Prop-1-enyloxetan-3-ol
CID 155317734
CID 101102614
CID 101102614

Frequently Asked Questions

What is the IUPAC name of 3-ethenyloxetan-3-ol?
The IUPAC name of 3-ethenyloxetan-3-ol (CID 53484283) is 3-ethenyloxetan-3-ol.
What is the SMILES notation for 3-ethenyloxetan-3-ol?
The canonical SMILES for 3-ethenyloxetan-3-ol is C=CC1(O)COC1.
What is the InChIKey of 3-ethenyloxetan-3-ol?
The InChIKey is IRTNICKAXISCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h2,6H,1,3-4H2.
What are the key properties of 3-ethenyloxetan-3-ol?
3-ethenyloxetan-3-ol has a molecular weight of 100.12 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyloxetan-3-ol is sourced from PubChem (CID 53484283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).