4-methyltrioxetane

C2H4O3 — CID 151364853

IUPAC4-methyltrioxetane
SMILESCC1OOO1
InChIInChI=1S/C2H4O3/c1-2-3-5-4-2/h2H,1H3
InChIKeyOPFFAYAPYBVAAK-UHFFFAOYSA-N
MW76.05 g/mol
LogP0.23
Rot. Bonds

About 4-methyltrioxetane

4-methyltrioxetane (PubChem CID 151364853) has the molecular formula C2H4O3 and a molecular weight of 76.05 g/mol. Its IUPAC name is 4-methyltrioxetane.

Molecular Properties

Compound Name4-methyltrioxetane
PubChem CID151364853
Molecular FormulaC2H4O3
Molecular Weight76.05 g/mol
Exact Mass76.02
IUPAC Name4-methyltrioxetane
SMILESCC1OOO1
InChIInChI=1S/C2H4O3/c1-2-3-5-4-2/h2H,1H3
InChIKeyOPFFAYAPYBVAAK-UHFFFAOYSA-N
XLogP0.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.05
LogP ≤ 50.23
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

formaldehyde;2,4,6-trimethyl-1,3,5-trioxane
CID 68622312
(2S,5S)-2-methyl-5-[(2S,4S)-2-methyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one
CID 101343749
dibromomethane;2,4,6-trimethyl-1,3,5-trioxane
CID 139147591
4,5-dichloro-2-methyl-1,3-dioxolane
CID 54239715
3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide
CID 142684303
ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane
CID 159571536
4-methyl-1,3,2-dioxaphosphetan-2-ium 2-oxide
CID 154096929
6-methyl-5,7-dioxatricyclo[9.5.0.04,8]hexadecane
CID 167079205
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
methane;2-methyl-1,3-dioxane
CID 144526875
4,5-dimethoxy-2-methyl-1,3-dioxolane
CID 66843015
(3R)-3-methyloxaziridine
CID 25048571

Frequently Asked Questions

What is the IUPAC name of 4-methyltrioxetane?
The IUPAC name of 4-methyltrioxetane (CID 151364853) is 4-methyltrioxetane.
What is the SMILES notation for 4-methyltrioxetane?
The canonical SMILES for 4-methyltrioxetane is CC1OOO1.
What is the InChIKey of 4-methyltrioxetane?
The InChIKey is OPFFAYAPYBVAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3/c1-2-3-5-4-2/h2H,1H3.
What are the key properties of 4-methyltrioxetane?
4-methyltrioxetane has a molecular weight of 76.05 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltrioxetane is sourced from PubChem (CID 151364853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).