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

C6H10O2 — CID 21452733

IUPAC3-[(E)-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-NSCUHMNNSA-N
MW114.14 g/mol
LogP0.94
Rot. Bonds2

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

3-[(E)-prop-1-enoxy]oxetane (PubChem CID 21452733) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-[(E)-prop-1-enoxy]oxetane.

Molecular Properties

Compound Name3-[(E)-prop-1-enoxy]oxetane
PubChem CID21452733
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-[(E)-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-NSCUHMNNSA-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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Related Compounds

1-(2-Methoxyethoxy)prop-1-ene
CID 53895075
(Z)-1-(2-methoxyethoxy)prop-1-ene
CID 21677513
(E)-1-(2-ethenoxyethoxy)prop-1-ene
CID 18784325
3-(2-Methylprop-1-enoxy)oxetane
CID 21452738
3-[(1Z)-1-propenyloxy]oxetane
CID 24974478
1,2-Bis(prop-1-enoxy)propane
CID 53967680
3-Prop-1-enoxyoxetane
CID 54488802
1-(1-Propenoxy)-2-vinyloxyethane
CID 54551299
(E)-1-(2-methoxyethoxy)prop-1-ene
CID 57067886
3-Pent-1-enoxyoxetane
CID 70631309
3-But-1-enoxyoxetane
CID 70631552
3-But-2-en-2-yloxyoxetane
CID 123438926

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enoxy]oxetane?
The IUPAC name of 3-[(E)-prop-1-enoxy]oxetane (CID 21452733) is 3-[(E)-prop-1-enoxy]oxetane.
What is the SMILES notation for 3-[(E)-prop-1-enoxy]oxetane?
The canonical SMILES for 3-[(E)-prop-1-enoxy]oxetane is C/C=C/OC1COC1.
What is the InChIKey of 3-[(E)-prop-1-enoxy]oxetane?
The InChIKey is XUHGKTRPSXBNEA-NSCUHMNNSA-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-[(E)-prop-1-enoxy]oxetane?
3-[(E)-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-[(E)-prop-1-enoxy]oxetane is sourced from PubChem (CID 21452733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).