3-(methoxymethyl)-3,4,4-trimethyldioxetane

C7H14O3 — CID 10820684

IUPAC3-(methoxymethyl)-3,4,4-trimethyldioxetane
SMILESCOCC1(C)OOC1(C)C
InChIInChI=1S/C7H14O3/c1-6(2)7(3,5-8-4)10-9-6/h5H2,1-4H3
InChIKeyVPFOZRDBBCBSSD-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.13
Rot. Bonds2

About 3-(methoxymethyl)-3,4,4-trimethyldioxetane

3-(methoxymethyl)-3,4,4-trimethyldioxetane (PubChem CID 10820684) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(methoxymethyl)-3,4,4-trimethyldioxetane.

Molecular Properties

Compound Name3-(methoxymethyl)-3,4,4-trimethyldioxetane
PubChem CID10820684
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-(methoxymethyl)-3,4,4-trimethyldioxetane
SMILESCOCC1(C)OOC1(C)C
InChIInChI=1S/C7H14O3/c1-6(2)7(3,5-8-4)10-9-6/h5H2,1-4H3
InChIKeyVPFOZRDBBCBSSD-UHFFFAOYSA-N
XLogP1.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-3,4,4-trimethyldioxetane?
The IUPAC name of 3-(methoxymethyl)-3,4,4-trimethyldioxetane (CID 10820684) is 3-(methoxymethyl)-3,4,4-trimethyldioxetane.
What is the SMILES notation for 3-(methoxymethyl)-3,4,4-trimethyldioxetane?
The canonical SMILES for 3-(methoxymethyl)-3,4,4-trimethyldioxetane is COCC1(C)OOC1(C)C.
What is the InChIKey of 3-(methoxymethyl)-3,4,4-trimethyldioxetane?
The InChIKey is VPFOZRDBBCBSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(2)7(3,5-8-4)10-9-6/h5H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-3,4,4-trimethyldioxetane?
3-(methoxymethyl)-3,4,4-trimethyldioxetane has a molecular weight of 146.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-3,4,4-trimethyldioxetane is sourced from PubChem (CID 10820684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).