3-methyl-3-propyldioxetane

C6H12O2 — CID 18913364

IUPAC3-methyl-3-propyldioxetane
SMILESCCCC1(C)COO1
InChIInChI=1S/C6H12O2/c1-3-4-6(2)5-7-8-6/h3-5H2,1-2H3
InChIKeyGCUOPTAEAXQZMO-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.51
Rot. Bonds2

About 3-methyl-3-propyldioxetane

3-methyl-3-propyldioxetane (PubChem CID 18913364) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methyl-3-propyldioxetane.

Molecular Properties

Compound Name3-methyl-3-propyldioxetane
PubChem CID18913364
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methyl-3-propyldioxetane
SMILESCCCC1(C)COO1
InChIInChI=1S/C6H12O2/c1-3-4-6(2)5-7-8-6/h3-5H2,1-2H3
InChIKeyGCUOPTAEAXQZMO-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.51
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-propyldioxetane?
The IUPAC name of 3-methyl-3-propyldioxetane (CID 18913364) is 3-methyl-3-propyldioxetane.
What is the SMILES notation for 3-methyl-3-propyldioxetane?
The canonical SMILES for 3-methyl-3-propyldioxetane is CCCC1(C)COO1.
What is the InChIKey of 3-methyl-3-propyldioxetane?
The InChIKey is GCUOPTAEAXQZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-6(2)5-7-8-6/h3-5H2,1-2H3.
What are the key properties of 3-methyl-3-propyldioxetane?
3-methyl-3-propyldioxetane has a molecular weight of 116.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propyldioxetane is sourced from PubChem (CID 18913364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).