3-[(E)-prop-1-enyl]oxetan-3-ol

C6H10O2 — CID 139383422

IUPAC3-[(E)-prop-1-enyl]oxetan-3-ol
SMILESC/C=C/C1(O)COC1
InChIInChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2-3,7H,4-5H2,1H3/b3-2+
InChIKeyYASRBTUFFFRUQA-NSCUHMNNSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds1

About 3-[(E)-prop-1-enyl]oxetan-3-ol

3-[(E)-prop-1-enyl]oxetan-3-ol (PubChem CID 139383422) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]oxetan-3-ol
PubChem CID139383422
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-[(E)-prop-1-enyl]oxetan-3-ol
SMILESC/C=C/C1(O)COC1
InChIInChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2-3,7H,4-5H2,1H3/b3-2+
InChIKeyYASRBTUFFFRUQA-NSCUHMNNSA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]oxetan-3-ol?
The IUPAC name of 3-[(E)-prop-1-enyl]oxetan-3-ol (CID 139383422) is 3-[(E)-prop-1-enyl]oxetan-3-ol.
What is the SMILES notation for 3-[(E)-prop-1-enyl]oxetan-3-ol?
The canonical SMILES for 3-[(E)-prop-1-enyl]oxetan-3-ol is C/C=C/C1(O)COC1.
What is the InChIKey of 3-[(E)-prop-1-enyl]oxetan-3-ol?
The InChIKey is YASRBTUFFFRUQA-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2-3,7H,4-5H2,1H3/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]oxetan-3-ol?
3-[(E)-prop-1-enyl]oxetan-3-ol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]oxetan-3-ol is sourced from PubChem (CID 139383422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).