3-but-1-enoxyoxetane

C7H12O2 — CID 70631552

IUPAC3-but-1-enoxyoxetane
SMILESCCC=COC1COC1
InChIInChI=1S/C7H12O2/c1-2-3-4-9-7-5-8-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyLCJIXNZKGVUJLW-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds3

About 3-but-1-enoxyoxetane

3-but-1-enoxyoxetane (PubChem CID 70631552) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-but-1-enoxyoxetane.

Molecular Properties

Compound Name3-but-1-enoxyoxetane
PubChem CID70631552
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-but-1-enoxyoxetane
SMILESCCC=COC1COC1
InChIInChI=1S/C7H12O2/c1-2-3-4-9-7-5-8-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyLCJIXNZKGVUJLW-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2-[[(E)-but-1-enoxy]methyl]oxirane
CID 21225241
3-[(1Z)-1-propenyloxy]oxetane
CID 24974478
2-(But-1-enoxymethyl)oxirane
CID 54184700
1-(2-Methoxyethoxy)but-1-ene
CID 54192618
3-Prop-1-enoxyoxetane
CID 54488802
3-Pent-1-enoxyoxetane
CID 70631309
3-Hept-1-enoxyoxetane
CID 70631626
1-[2,3-Bis(but-1-enoxy)propoxy]but-1-ene
CID 87166309
(E)-1-(2-methoxyethoxy)but-1-ene
CID 87392551
O-(1-but-1-enoxypropan-2-yl)hydroxylamine
CID 123265440
3-But-2-en-2-yloxyoxetane
CID 123438926
2-(But-1-enoxymethyl)oxetane
CID 141062645

Frequently Asked Questions

What is the IUPAC name of 3-but-1-enoxyoxetane?
The IUPAC name of 3-but-1-enoxyoxetane (CID 70631552) is 3-but-1-enoxyoxetane.
What is the SMILES notation for 3-but-1-enoxyoxetane?
The canonical SMILES for 3-but-1-enoxyoxetane is CCC=COC1COC1.
What is the InChIKey of 3-but-1-enoxyoxetane?
The InChIKey is LCJIXNZKGVUJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-4-9-7-5-8-6-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 3-but-1-enoxyoxetane?
3-but-1-enoxyoxetane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enoxyoxetane is sourced from PubChem (CID 70631552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).