1-[2-(2-butoxyethylperoxy)ethoxy]butane

C12H26O4 — CID 19809275

IUPAC1-[2-(2-butoxyethylperoxy)ethoxy]butane
SMILESCCCCOCCOOCCOCCCC
InChIInChI=1S/C12H26O4/c1-3-5-7-13-9-11-15-16-12-10-14-8-6-4-2/h3-12H2,1-2H3
InChIKeySABJZABTUBCKRH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds13

About 1-[2-(2-butoxyethylperoxy)ethoxy]butane

1-[2-(2-butoxyethylperoxy)ethoxy]butane (PubChem CID 19809275) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(2-butoxyethylperoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[2-(2-butoxyethylperoxy)ethoxy]butane
PubChem CID19809275
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1-[2-(2-butoxyethylperoxy)ethoxy]butane
SMILESCCCCOCCOOCCOCCCC
InChIInChI=1S/C12H26O4/c1-3-5-7-13-9-11-15-16-12-10-14-8-6-4-2/h3-12H2,1-2H3
InChIKeySABJZABTUBCKRH-UHFFFAOYSA-N
XLogP2.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,10-bis(2-butoxyethoxy)decane
CID 90257337
ethane;1-(2-propoxyethoxy)butane
CID 164535746
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
1-butylperoxybutane
CID 159275797
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethylperoxy)ethoxy]butane?
The IUPAC name of 1-[2-(2-butoxyethylperoxy)ethoxy]butane (CID 19809275) is 1-[2-(2-butoxyethylperoxy)ethoxy]butane.
What is the SMILES notation for 1-[2-(2-butoxyethylperoxy)ethoxy]butane?
The canonical SMILES for 1-[2-(2-butoxyethylperoxy)ethoxy]butane is CCCCOCCOOCCOCCCC.
What is the InChIKey of 1-[2-(2-butoxyethylperoxy)ethoxy]butane?
The InChIKey is SABJZABTUBCKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-3-5-7-13-9-11-15-16-12-10-14-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1-[2-(2-butoxyethylperoxy)ethoxy]butane?
1-[2-(2-butoxyethylperoxy)ethoxy]butane has a molecular weight of 234.34 g/mol, XLogP of 2.57, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethylperoxy)ethoxy]butane is sourced from PubChem (CID 19809275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).