2-(1-hydroperoxypropan-2-yloxy)ethanol

C5H12O4 — CID 22759520

IUPAC2-(1-hydroperoxypropan-2-yloxy)ethanol
SMILESCC(COO)OCCO
InChIInChI=1S/C5H12O4/c1-5(4-9-7)8-3-2-6/h5-7H,2-4H2,1H3
InChIKeyWRXDOHIGXZRAHU-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.13
Rot. Bonds5

About 2-(1-hydroperoxypropan-2-yloxy)ethanol

2-(1-hydroperoxypropan-2-yloxy)ethanol (PubChem CID 22759520) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-(1-hydroperoxypropan-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(1-hydroperoxypropan-2-yloxy)ethanol
PubChem CID22759520
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Name2-(1-hydroperoxypropan-2-yloxy)ethanol
SMILESCC(COO)OCCO
InChIInChI=1S/C5H12O4/c1-5(4-9-7)8-3-2-6/h5-7H,2-4H2,1H3
InChIKeyWRXDOHIGXZRAHU-UHFFFAOYSA-N
XLogP-0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-(1-aminopropan-2-yloxy)ethanol;hydrochloride
CID 86645498
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-pent-4-yn-2-yloxyethanol
CID 130124823
2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol
CID 122537097
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroperoxypropan-2-yloxy)ethanol?
The IUPAC name of 2-(1-hydroperoxypropan-2-yloxy)ethanol (CID 22759520) is 2-(1-hydroperoxypropan-2-yloxy)ethanol.
What is the SMILES notation for 2-(1-hydroperoxypropan-2-yloxy)ethanol?
The canonical SMILES for 2-(1-hydroperoxypropan-2-yloxy)ethanol is CC(COO)OCCO.
What is the InChIKey of 2-(1-hydroperoxypropan-2-yloxy)ethanol?
The InChIKey is WRXDOHIGXZRAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4/c1-5(4-9-7)8-3-2-6/h5-7H,2-4H2,1H3.
What are the key properties of 2-(1-hydroperoxypropan-2-yloxy)ethanol?
2-(1-hydroperoxypropan-2-yloxy)ethanol has a molecular weight of 136.15 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroperoxypropan-2-yloxy)ethanol is sourced from PubChem (CID 22759520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).