3-ethyl-3-propyldioxetane

C7H14O2 — CID 174276293

IUPAC3-ethyl-3-propyldioxetane
SMILESCCCC1(CC)COO1
InChIInChI=1S/C7H14O2/c1-3-5-7(4-2)6-8-9-7/h3-6H2,1-2H3
InChIKeyDNHRZYMIWVXOEQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds3

About 3-ethyl-3-propyldioxetane

3-ethyl-3-propyldioxetane (PubChem CID 174276293) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-ethyl-3-propyldioxetane.

Molecular Properties

Compound Name3-ethyl-3-propyldioxetane
PubChem CID174276293
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-ethyl-3-propyldioxetane
SMILESCCCC1(CC)COO1
InChIInChI=1S/C7H14O2/c1-3-5-7(4-2)6-8-9-7/h3-6H2,1-2H3
InChIKeyDNHRZYMIWVXOEQ-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.90
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-propyldioxetane?
The IUPAC name of 3-ethyl-3-propyldioxetane (CID 174276293) is 3-ethyl-3-propyldioxetane.
What is the SMILES notation for 3-ethyl-3-propyldioxetane?
The canonical SMILES for 3-ethyl-3-propyldioxetane is CCCC1(CC)COO1.
What is the InChIKey of 3-ethyl-3-propyldioxetane?
The InChIKey is DNHRZYMIWVXOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-7(4-2)6-8-9-7/h3-6H2,1-2H3.
What are the key properties of 3-ethyl-3-propyldioxetane?
3-ethyl-3-propyldioxetane has a molecular weight of 130.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-propyldioxetane is sourced from PubChem (CID 174276293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).