butan-1-ol;2-(2-hydroxyethylperoxy)ethanol

C8H20O5 — CID 174670759

IUPACbutan-1-ol;2-(2-hydroxyethylperoxy)ethanol
SMILESCCCCO.OCCOOCCO
InChIInChI=1S/C4H10O4.C4H10O/c5-1-3-7-8-4-2-6;1-2-3-4-5/h5-6H,1-4H2;5H,2-4H2,1H3
InChIKeyYUWGIOQCYGWUTB-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.30
Rot. Bonds7

About butan-1-ol;2-(2-hydroxyethylperoxy)ethanol

butan-1-ol;2-(2-hydroxyethylperoxy)ethanol (PubChem CID 174670759) has the molecular formula C8H20O5 and a molecular weight of 196.24 g/mol. Its IUPAC name is butan-1-ol;2-(2-hydroxyethylperoxy)ethanol.

Molecular Properties

Compound Namebutan-1-ol;2-(2-hydroxyethylperoxy)ethanol
PubChem CID174670759
Molecular FormulaC8H20O5
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Namebutan-1-ol;2-(2-hydroxyethylperoxy)ethanol
SMILESCCCCO.OCCOOCCO
InChIInChI=1S/C4H10O4.C4H10O/c5-1-3-7-8-4-2-6;1-2-3-4-5/h5-6H,1-4H2;5H,2-4H2,1H3
InChIKeyYUWGIOQCYGWUTB-UHFFFAOYSA-N
XLogP-0.30
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
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

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635
butan-1-ol;1-butoxybutane
CID 19700093

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;2-(2-hydroxyethylperoxy)ethanol?
The IUPAC name of butan-1-ol;2-(2-hydroxyethylperoxy)ethanol (CID 174670759) is butan-1-ol;2-(2-hydroxyethylperoxy)ethanol.
What is the SMILES notation for butan-1-ol;2-(2-hydroxyethylperoxy)ethanol?
The canonical SMILES for butan-1-ol;2-(2-hydroxyethylperoxy)ethanol is CCCCO.OCCOOCCO.
What is the InChIKey of butan-1-ol;2-(2-hydroxyethylperoxy)ethanol?
The InChIKey is YUWGIOQCYGWUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4.C4H10O/c5-1-3-7-8-4-2-6;1-2-3-4-5/h5-6H,1-4H2;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;2-(2-hydroxyethylperoxy)ethanol?
butan-1-ol;2-(2-hydroxyethylperoxy)ethanol has a molecular weight of 196.24 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;2-(2-hydroxyethylperoxy)ethanol is sourced from PubChem (CID 174670759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).