2-but-2-enyl-4-methyl-1,3-dioxetane

C7H12O2 — CID 69303786

IUPAC2-but-2-enyl-4-methyl-1,3-dioxetane
SMILESCC=CCC1OC(C)O1
InChIInChI=1S/C7H12O2/c1-3-4-5-7-8-6(2)9-7/h3-4,6-7H,5H2,1-2H3
InChIKeyAKUCIMNSKVGLMO-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.67
Rot. Bonds2

About 2-but-2-enyl-4-methyl-1,3-dioxetane

2-but-2-enyl-4-methyl-1,3-dioxetane (PubChem CID 69303786) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-but-2-enyl-4-methyl-1,3-dioxetane.

Molecular Properties

Compound Name2-but-2-enyl-4-methyl-1,3-dioxetane
PubChem CID69303786
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-but-2-enyl-4-methyl-1,3-dioxetane
SMILESCC=CCC1OC(C)O1
InChIInChI=1S/C7H12O2/c1-3-4-5-7-8-6(2)9-7/h3-4,6-7H,5H2,1-2H3
InChIKeyAKUCIMNSKVGLMO-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(3-methylbut-2-enyl)-1,3-dioxetane
CID 23064937
1-[(Z)-but-2-enyl]-2-methylcyclopropane
CID 143324867
(2S)-1-but-2-enyl-2-methylcyclopropane
CID 59524462
3-[(E)-but-2-enyl]-2,2-dimethyloxirane
CID 18345585
1-(4-methyl-1,3-dioxetan-2-yl)propan-2-amine
CID 70217294
formaldehyde;2,4,6-trimethyl-1,3,5-trioxane
CID 68622312
4-(4-methyl-1,3-dioxetan-2-yl)butan-2-one
CID 67611031
4-[(E)-but-2-enyl]oxane
CID 166726041
2-but-2-enyl-1-methylbicyclo[1.1.0]butane
CID 123185541
(E)-3-[(2S,3S)-3-[(E)-but-2-enyl]oxiran-2-yl]prop-2-en-1-ol
CID 131248780
(Z)-but-2-ene;2,3-dimethyloxirane;methane
CID 169426301
dibromomethane;2,4,6-trimethyl-1,3,5-trioxane
CID 139147591

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyl-4-methyl-1,3-dioxetane?
The IUPAC name of 2-but-2-enyl-4-methyl-1,3-dioxetane (CID 69303786) is 2-but-2-enyl-4-methyl-1,3-dioxetane.
What is the SMILES notation for 2-but-2-enyl-4-methyl-1,3-dioxetane?
The canonical SMILES for 2-but-2-enyl-4-methyl-1,3-dioxetane is CC=CCC1OC(C)O1.
What is the InChIKey of 2-but-2-enyl-4-methyl-1,3-dioxetane?
The InChIKey is AKUCIMNSKVGLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-5-7-8-6(2)9-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-but-2-enyl-4-methyl-1,3-dioxetane?
2-but-2-enyl-4-methyl-1,3-dioxetane has a molecular weight of 128.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-4-methyl-1,3-dioxetane is sourced from PubChem (CID 69303786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).