1-(3-ethoxypropylperoxy)butane

C9H20O3 — CID 154387522

IUPAC1-(3-ethoxypropylperoxy)butane
SMILESCCCCOOCCCOCC
InChIInChI=1S/C9H20O3/c1-3-5-8-11-12-9-6-7-10-4-2/h3-9H2,1-2H3
InChIKeyGCKAXTGDILIDPC-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.16
Rot. Bonds9

About 1-(3-ethoxypropylperoxy)butane

1-(3-ethoxypropylperoxy)butane (PubChem CID 154387522) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(3-ethoxypropylperoxy)butane.

Molecular Properties

Compound Name1-(3-ethoxypropylperoxy)butane
PubChem CID154387522
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1-(3-ethoxypropylperoxy)butane
SMILESCCCCOOCCCOCC
InChIInChI=1S/C9H20O3/c1-3-5-8-11-12-9-6-7-10-4-2/h3-9H2,1-2H3
InChIKeyGCKAXTGDILIDPC-UHFFFAOYSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethane;1-ethoxybutane
CID 143206406
1-butylperoxybutane
CID 159275797
ethane;1-ethoxybutane;molecular hydrogen
CID 143792167
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]octane
CID 175685781
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]undecane
CID 175685461
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]dodecane
CID 175686372
1-butylperoxybutane;hydrate
CID 158567350
ethane-1,2-diol;1-ethoxybutane
CID 23504299
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
1-butylperoxybutane;hydrogen peroxide
CID 162033267

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropylperoxy)butane?
The IUPAC name of 1-(3-ethoxypropylperoxy)butane (CID 154387522) is 1-(3-ethoxypropylperoxy)butane.
What is the SMILES notation for 1-(3-ethoxypropylperoxy)butane?
The canonical SMILES for 1-(3-ethoxypropylperoxy)butane is CCCCOOCCCOCC.
What is the InChIKey of 1-(3-ethoxypropylperoxy)butane?
The InChIKey is GCKAXTGDILIDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-3-5-8-11-12-9-6-7-10-4-2/h3-9H2,1-2H3.
What are the key properties of 1-(3-ethoxypropylperoxy)butane?
1-(3-ethoxypropylperoxy)butane has a molecular weight of 176.26 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropylperoxy)butane is sourced from PubChem (CID 154387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).