2-(oxan-2-yloxy)ethyl propaneperoxoate

C10H18O5 — CID 91031112

IUPAC2-(oxan-2-yloxy)ethyl propaneperoxoate
SMILESCCC(=O)OOCCOC1CCCCO1
InChIInChI=1S/C10H18O5/c1-2-9(11)15-14-8-7-13-10-5-3-4-6-12-10/h10H,2-8H2,1H3
InChIKeyIZPSEAAQXAMURE-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.41
Rot. Bonds6

About 2-(oxan-2-yloxy)ethyl propaneperoxoate

2-(oxan-2-yloxy)ethyl propaneperoxoate (PubChem CID 91031112) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)ethyl propaneperoxoate.

Molecular Properties

Compound Name2-(oxan-2-yloxy)ethyl propaneperoxoate
PubChem CID91031112
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-(oxan-2-yloxy)ethyl propaneperoxoate
SMILESCCC(=O)OOCCOC1CCCCO1
InChIInChI=1S/C10H18O5/c1-2-9(11)15-14-8-7-13-10-5-3-4-6-12-10/h10H,2-8H2,1H3
InChIKeyIZPSEAAQXAMURE-UHFFFAOYSA-N
XLogP1.41
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
bis[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl] 2,2-dimethylpropanedioate
CID 54155676
2-[2-(oxan-2-yloxy)ethoxy]ethanol;2-(2-propoxyethoxy)oxane
CID 160999917
4-[2-(oxan-2-yloxy)ethoxy]-3-sulfanylidenebutan-2-one
CID 57072264
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)ethyl propaneperoxoate?
The IUPAC name of 2-(oxan-2-yloxy)ethyl propaneperoxoate (CID 91031112) is 2-(oxan-2-yloxy)ethyl propaneperoxoate.
What is the SMILES notation for 2-(oxan-2-yloxy)ethyl propaneperoxoate?
The canonical SMILES for 2-(oxan-2-yloxy)ethyl propaneperoxoate is CCC(=O)OOCCOC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxy)ethyl propaneperoxoate?
The InChIKey is IZPSEAAQXAMURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-2-9(11)15-14-8-7-13-10-5-3-4-6-12-10/h10H,2-8H2,1H3.
What are the key properties of 2-(oxan-2-yloxy)ethyl propaneperoxoate?
2-(oxan-2-yloxy)ethyl propaneperoxoate has a molecular weight of 218.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)ethyl propaneperoxoate is sourced from PubChem (CID 91031112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).