2-(ethylperoxymethoxy)butane

C7H16O3 — CID 21334094

IUPAC2-(ethylperoxymethoxy)butane
SMILESCCOOCOC(C)CC
InChIInChI=1S/C7H16O3/c1-4-7(3)8-6-10-9-5-2/h7H,4-6H2,1-3H3
InChIKeyMIRSJCLHNLVRFI-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.73
Rot. Bonds6

About 2-(ethylperoxymethoxy)butane

2-(ethylperoxymethoxy)butane (PubChem CID 21334094) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(ethylperoxymethoxy)butane.

Molecular Properties

Compound Name2-(ethylperoxymethoxy)butane
PubChem CID21334094
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-(ethylperoxymethoxy)butane
SMILESCCOOCOC(C)CC
InChIInChI=1S/C7H16O3/c1-4-7(3)8-6-10-9-5-2/h7H,4-6H2,1-3H3
InChIKeyMIRSJCLHNLVRFI-UHFFFAOYSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylperoxymethoxy)butane?
The IUPAC name of 2-(ethylperoxymethoxy)butane (CID 21334094) is 2-(ethylperoxymethoxy)butane.
What is the SMILES notation for 2-(ethylperoxymethoxy)butane?
The canonical SMILES for 2-(ethylperoxymethoxy)butane is CCOOCOC(C)CC.
What is the InChIKey of 2-(ethylperoxymethoxy)butane?
The InChIKey is MIRSJCLHNLVRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-4-7(3)8-6-10-9-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-(ethylperoxymethoxy)butane?
2-(ethylperoxymethoxy)butane has a molecular weight of 148.20 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylperoxymethoxy)butane is sourced from PubChem (CID 21334094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).