3-[(Z)-prop-1-enoxy]oxetane

C6H10O2 — CID 24974478

IUPAC3-[(Z)-prop-1-enoxy]oxetane
SMILESC/C=C\OC1COC1
InChIInChI=1S/C6H10O2/c1-2-3-8-6-4-7-5-6/h2-3,6H,4-5H2,1H3/b3-2-
InChIKeyXUHGKTRPSXBNEA-IHWYPQMZSA-N
MW114.14 g/mol
LogP0.94
Rot. Bonds2

About 3-[(Z)-prop-1-enoxy]oxetane

3-[(Z)-prop-1-enoxy]oxetane (PubChem CID 24974478) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-[(Z)-prop-1-enoxy]oxetane.

Molecular Properties

Compound Name3-[(Z)-prop-1-enoxy]oxetane
PubChem CID24974478
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-[(Z)-prop-1-enoxy]oxetane
SMILESC/C=C\OC1COC1
InChIInChI=1S/C6H10O2/c1-2-3-8-6-4-7-5-6/h2-3,6H,4-5H2,1H3/b3-2-
InChIKeyXUHGKTRPSXBNEA-IHWYPQMZSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-prop-1-enoxy]oxetane?
The IUPAC name of 3-[(Z)-prop-1-enoxy]oxetane (CID 24974478) is 3-[(Z)-prop-1-enoxy]oxetane.
What is the SMILES notation for 3-[(Z)-prop-1-enoxy]oxetane?
The canonical SMILES for 3-[(Z)-prop-1-enoxy]oxetane is C/C=C\OC1COC1.
What is the InChIKey of 3-[(Z)-prop-1-enoxy]oxetane?
The InChIKey is XUHGKTRPSXBNEA-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-8-6-4-7-5-6/h2-3,6H,4-5H2,1H3/b3-2-.
What are the key properties of 3-[(Z)-prop-1-enoxy]oxetane?
3-[(Z)-prop-1-enoxy]oxetane has a molecular weight of 114.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-prop-1-enoxy]oxetane is sourced from PubChem (CID 24974478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).