3-(2-methylperoxypropan-2-yloxy)oct-1-ene

C12H24O3 — CID 88781089

IUPAC3-(2-methylperoxypropan-2-yloxy)oct-1-ene
SMILESC=CC(CCCCC)OC(C)(C)OOC
InChIInChI=1S/C12H24O3/c1-6-8-9-10-11(7-2)14-12(3,4)15-13-5/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyZIZYEWRBMZWTDA-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.45
Rot. Bonds9

About 3-(2-methylperoxypropan-2-yloxy)oct-1-ene

3-(2-methylperoxypropan-2-yloxy)oct-1-ene (PubChem CID 88781089) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(2-methylperoxypropan-2-yloxy)oct-1-ene.

Molecular Properties

Compound Name3-(2-methylperoxypropan-2-yloxy)oct-1-ene
PubChem CID88781089
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-(2-methylperoxypropan-2-yloxy)oct-1-ene
SMILESC=CC(CCCCC)OC(C)(C)OOC
InChIInChI=1S/C12H24O3/c1-6-8-9-10-11(7-2)14-12(3,4)15-13-5/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyZIZYEWRBMZWTDA-UHFFFAOYSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.45
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': '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 3-(2-methylperoxypropan-2-yloxy)oct-1-ene?
The IUPAC name of 3-(2-methylperoxypropan-2-yloxy)oct-1-ene (CID 88781089) is 3-(2-methylperoxypropan-2-yloxy)oct-1-ene.
What is the SMILES notation for 3-(2-methylperoxypropan-2-yloxy)oct-1-ene?
The canonical SMILES for 3-(2-methylperoxypropan-2-yloxy)oct-1-ene is C=CC(CCCCC)OC(C)(C)OOC.
What is the InChIKey of 3-(2-methylperoxypropan-2-yloxy)oct-1-ene?
The InChIKey is ZIZYEWRBMZWTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-8-9-10-11(7-2)14-12(3,4)15-13-5/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of 3-(2-methylperoxypropan-2-yloxy)oct-1-ene?
3-(2-methylperoxypropan-2-yloxy)oct-1-ene has a molecular weight of 216.32 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylperoxypropan-2-yloxy)oct-1-ene is sourced from PubChem (CID 88781089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).