1-(1-hydroxyethoxyperoxy)ethanol

C4H10O5 — CID 87454274

IUPAC1-(1-hydroxyethoxyperoxy)ethanol
SMILESCC(O)OOOC(C)O
InChIInChI=1S/C4H10O5/c1-3(5)7-9-8-4(2)6/h3-6H,1-2H3
InChIKeyHKIRUHMYYDQSDQ-UHFFFAOYSA-N
MW138.12 g/mol
LogP-0.46
Rot. Bonds4

About 1-(1-hydroxyethoxyperoxy)ethanol

1-(1-hydroxyethoxyperoxy)ethanol (PubChem CID 87454274) has the molecular formula C4H10O5 and a molecular weight of 138.12 g/mol. Its IUPAC name is 1-(1-hydroxyethoxyperoxy)ethanol.

Molecular Properties

Compound Name1-(1-hydroxyethoxyperoxy)ethanol
PubChem CID87454274
Molecular FormulaC4H10O5
Molecular Weight138.12 g/mol
Exact Mass138.05
IUPAC Name1-(1-hydroxyethoxyperoxy)ethanol
SMILESCC(O)OOOC(C)O
InChIInChI=1S/C4H10O5/c1-3(5)7-9-8-4(2)6/h3-6H,1-2H3
InChIKeyHKIRUHMYYDQSDQ-UHFFFAOYSA-N
XLogP-0.46
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-hydroxyethoxy methyl carbonate
CID 175191129
1-hydroxyethyl hypobromite
CID 141268184
ethane;1-methoxyethanol
CID 157348595
1-(1-hydroxypropoxyperoxy)propan-1-ol
CID 87132582
1-prop-2-enylperoxyethanol
CID 10077060
2-(trioxidanylperoxyperoxy)propane
CID 87536389
tetrakis(1-hydroxyethyl) silicate
CID 87656804
tetrakis(propan-2-ol);thulium
CID 174050117
holmium;tris(propan-2-ol)
CID 102601028
ethane-1,1-diol;hydrate
CID 86643495
erbium;propan-2-ol
CID 160843836
CID 85354423
CID 85354423

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethoxyperoxy)ethanol?
The IUPAC name of 1-(1-hydroxyethoxyperoxy)ethanol (CID 87454274) is 1-(1-hydroxyethoxyperoxy)ethanol.
What is the SMILES notation for 1-(1-hydroxyethoxyperoxy)ethanol?
The canonical SMILES for 1-(1-hydroxyethoxyperoxy)ethanol is CC(O)OOOC(C)O.
What is the InChIKey of 1-(1-hydroxyethoxyperoxy)ethanol?
The InChIKey is HKIRUHMYYDQSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5/c1-3(5)7-9-8-4(2)6/h3-6H,1-2H3.
What are the key properties of 1-(1-hydroxyethoxyperoxy)ethanol?
1-(1-hydroxyethoxyperoxy)ethanol has a molecular weight of 138.12 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethoxyperoxy)ethanol is sourced from PubChem (CID 87454274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).