3-methyl-3-(oxetan-3-yl)dioxetane

C6H10O3 — CID 175456347

IUPAC3-methyl-3-(oxetan-3-yl)dioxetane
SMILESCC1(C2COC2)COO1
InChIInChI=1S/C6H10O3/c1-6(4-8-9-6)5-2-7-3-5/h5H,2-4H2,1H3
InChIKeyVOWKMAUJLUTZMT-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.35
Rot. Bonds1

About 3-methyl-3-(oxetan-3-yl)dioxetane

3-methyl-3-(oxetan-3-yl)dioxetane (PubChem CID 175456347) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-methyl-3-(oxetan-3-yl)dioxetane.

Molecular Properties

Compound Name3-methyl-3-(oxetan-3-yl)dioxetane
PubChem CID175456347
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-methyl-3-(oxetan-3-yl)dioxetane
SMILESCC1(C2COC2)COO1
InChIInChI=1S/C6H10O3/c1-6(4-8-9-6)5-2-7-3-5/h5H,2-4H2,1H3
InChIKeyVOWKMAUJLUTZMT-UHFFFAOYSA-N
XLogP0.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
CID 159685606
1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
CID 158339173
5,5-dihydroxy-3a-methyl-3,4,6,6a-tetrahydro-1H-thieno[3,4-c]furan
CID 164918725
3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 155649507
(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
CID 170915193
1-(oxetan-3-yl)cyclopropan-1-ol
CID 84647707
3,3-dimethyldioxolane-4,4-diol
CID 19069932
3-bromo-3-tert-butyloxetane
CID 116876355
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
2-tert-butyl-2-(oxetan-3-yl)oxathiaziridine
CID 166653153
(5R)-3,5-dimethyloxan-3-ol
CID 134289610
(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
CID 71445982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxetan-3-yl)dioxetane?
The IUPAC name of 3-methyl-3-(oxetan-3-yl)dioxetane (CID 175456347) is 3-methyl-3-(oxetan-3-yl)dioxetane.
What is the SMILES notation for 3-methyl-3-(oxetan-3-yl)dioxetane?
The canonical SMILES for 3-methyl-3-(oxetan-3-yl)dioxetane is CC1(C2COC2)COO1.
What is the InChIKey of 3-methyl-3-(oxetan-3-yl)dioxetane?
The InChIKey is VOWKMAUJLUTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(4-8-9-6)5-2-7-3-5/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-3-(oxetan-3-yl)dioxetane?
3-methyl-3-(oxetan-3-yl)dioxetane has a molecular weight of 130.14 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxetan-3-yl)dioxetane is sourced from PubChem (CID 175456347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).