3-but-2-en-2-yloxyoxetane

C7H12O2 — CID 123438926

IUPAC3-but-2-en-2-yloxyoxetane
SMILESCC=C(C)OC1COC1
InChIInChI=1S/C7H12O2/c1-3-6(2)9-7-4-8-5-7/h3,7H,4-5H2,1-2H3
InChIKeyALRLFKORNPNHCF-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds2

About 3-but-2-en-2-yloxyoxetane

3-but-2-en-2-yloxyoxetane (PubChem CID 123438926) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-but-2-en-2-yloxyoxetane.

Molecular Properties

Compound Name3-but-2-en-2-yloxyoxetane
PubChem CID123438926
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-but-2-en-2-yloxyoxetane
SMILESCC=C(C)OC1COC1
InChIInChI=1S/C7H12O2/c1-3-6(2)9-7-4-8-5-7/h3,7H,4-5H2,1-2H3
InChIKeyALRLFKORNPNHCF-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
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

3-[(1Z)-1-propenyloxy]oxetane
CID 24974478
3-Prop-1-enoxyoxetane
CID 54488802
2-(But-2-en-2-yloxymethyl)oxirane
CID 57285907
3-But-1-enoxyoxetane
CID 70631552
2-(2-Methoxyethoxy)but-2-ene
CID 91565338
2-(Prop-1-enoxymethyl)oxetane
CID 141062649
(E)-2-(2-methoxyethoxy)but-2-ene
CID 143307580
2-[[(E)-but-2-en-2-yl]oxymethyl]oxirane
CID 19879883
3-[(E)-prop-1-enoxy]oxetane
CID 21452733

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yloxyoxetane?
The IUPAC name of 3-but-2-en-2-yloxyoxetane (CID 123438926) is 3-but-2-en-2-yloxyoxetane.
What is the SMILES notation for 3-but-2-en-2-yloxyoxetane?
The canonical SMILES for 3-but-2-en-2-yloxyoxetane is CC=C(C)OC1COC1.
What is the InChIKey of 3-but-2-en-2-yloxyoxetane?
The InChIKey is ALRLFKORNPNHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-6(2)9-7-4-8-5-7/h3,7H,4-5H2,1-2H3.
What are the key properties of 3-but-2-en-2-yloxyoxetane?
3-but-2-en-2-yloxyoxetane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yloxyoxetane is sourced from PubChem (CID 123438926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).