2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane

C10H20O3 — CID 57065616

IUPAC2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane
SMILESC=CC(OCC)OOC(C)(C)CC
InChIInChI=1S/C10H20O3/c1-6-9(11-8-3)12-13-10(4,5)7-2/h6,9H,1,7-8H2,2-5H3
InChIKeyLSHLEPGXTSKSCW-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.67
Rot. Bonds7

About 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane

2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane (PubChem CID 57065616) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane.

Molecular Properties

Compound Name2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane
PubChem CID57065616
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane
SMILESC=CC(OCC)OOC(C)(C)CC
InChIInChI=1S/C10H20O3/c1-6-9(11-8-3)12-13-10(4,5)7-2/h6,9H,1,7-8H2,2-5H3
InChIKeyLSHLEPGXTSKSCW-UHFFFAOYSA-N
XLogP2.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(1-ethoxyprop-2-enylperoxy)-2-methylbutane?
The IUPAC name of 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane (CID 57065616) is 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane.
What is the SMILES notation for 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane?
The canonical SMILES for 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane is C=CC(OCC)OOC(C)(C)CC.
What is the InChIKey of 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane?
The InChIKey is LSHLEPGXTSKSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-9(11-8-3)12-13-10(4,5)7-2/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane?
2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane has a molecular weight of 188.27 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyprop-2-enylperoxy)-2-methylbutane is sourced from PubChem (CID 57065616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).