3-ethyl-3-methyldioxetane

C5H10O2 — CID 12951313

IUPAC3-ethyl-3-methyldioxetane
SMILESCCC1(C)COO1
InChIInChI=1S/C5H10O2/c1-3-5(2)4-6-7-5/h3-4H2,1-2H3
InChIKeyRJVNPVASAIEGMJ-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.12
Rot. Bonds1

About 3-ethyl-3-methyldioxetane

3-ethyl-3-methyldioxetane (PubChem CID 12951313) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 3-ethyl-3-methyldioxetane.

Molecular Properties

Compound Name3-ethyl-3-methyldioxetane
PubChem CID12951313
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name3-ethyl-3-methyldioxetane
SMILESCCC1(C)COO1
InChIInChI=1S/C5H10O2/c1-3-5(2)4-6-7-5/h3-4H2,1-2H3
InChIKeyRJVNPVASAIEGMJ-UHFFFAOYSA-N
XLogP1.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.12
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-ethyl-3-methyldioxetane?
The IUPAC name of 3-ethyl-3-methyldioxetane (CID 12951313) is 3-ethyl-3-methyldioxetane.
What is the SMILES notation for 3-ethyl-3-methyldioxetane?
The canonical SMILES for 3-ethyl-3-methyldioxetane is CCC1(C)COO1.
What is the InChIKey of 3-ethyl-3-methyldioxetane?
The InChIKey is RJVNPVASAIEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-5(2)4-6-7-5/h3-4H2,1-2H3.
What are the key properties of 3-ethyl-3-methyldioxetane?
3-ethyl-3-methyldioxetane has a molecular weight of 102.13 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyldioxetane is sourced from PubChem (CID 12951313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).