3-methyl-3-propan-2-yldioxetane

C6H12O2 — CID 12951314

IUPAC3-methyl-3-propan-2-yldioxetane
SMILESCC(C)C1(C)COO1
InChIInChI=1S/C6H12O2/c1-5(2)6(3)4-7-8-6/h5H,4H2,1-3H3
InChIKeyQCWAICFEGKAMMA-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.36
Rot. Bonds1

About 3-methyl-3-propan-2-yldioxetane

3-methyl-3-propan-2-yldioxetane (PubChem CID 12951314) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yldioxetane.

Molecular Properties

Compound Name3-methyl-3-propan-2-yldioxetane
PubChem CID12951314
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methyl-3-propan-2-yldioxetane
SMILESCC(C)C1(C)COO1
InChIInChI=1S/C6H12O2/c1-5(2)6(3)4-7-8-6/h5H,4H2,1-3H3
InChIKeyQCWAICFEGKAMMA-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-3-propan-2-yldioxetane?
The IUPAC name of 3-methyl-3-propan-2-yldioxetane (CID 12951314) is 3-methyl-3-propan-2-yldioxetane.
What is the SMILES notation for 3-methyl-3-propan-2-yldioxetane?
The canonical SMILES for 3-methyl-3-propan-2-yldioxetane is CC(C)C1(C)COO1.
What is the InChIKey of 3-methyl-3-propan-2-yldioxetane?
The InChIKey is QCWAICFEGKAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(2)6(3)4-7-8-6/h5H,4H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-yldioxetane?
3-methyl-3-propan-2-yldioxetane has a molecular weight of 116.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yldioxetane is sourced from PubChem (CID 12951314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).