ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate

C6H14O6 — CID 174290784

IUPACethane-1,2-diol;2-hydroxyethyl ethaneperoxoate
SMILESCC(=O)OOCCO.OCCO
InChIInChI=1S/C4H8O4.C2H6O2/c1-4(6)8-7-3-2-5;3-1-2-4/h5H,2-3H2,1H3;3-4H,1-2H2
InChIKeyCJLZMIHIPRGWRY-UHFFFAOYSA-N
MW182.17 g/mol
LogP-1.56
Rot. Bonds4

About ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate

ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate (PubChem CID 174290784) has the molecular formula C6H14O6 and a molecular weight of 182.17 g/mol. Its IUPAC name is ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate.

Molecular Properties

Compound Nameethane-1,2-diol;2-hydroxyethyl ethaneperoxoate
PubChem CID174290784
Molecular FormulaC6H14O6
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Nameethane-1,2-diol;2-hydroxyethyl ethaneperoxoate
SMILESCC(=O)OOCCO.OCCO
InChIInChI=1S/C4H8O4.C2H6O2/c1-4(6)8-7-3-2-5;3-1-2-4/h5H,2-3H2,1H3;3-4H,1-2H2
InChIKeyCJLZMIHIPRGWRY-UHFFFAOYSA-N
XLogP-1.56
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

propyl ethaneperoxoate
CID 160583975
acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
CID 88742997
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
bromo acetate;ethane-1,2-diol
CID 88743999
2-methoxyethoxymethyl ethaneperoxoate
CID 22938292
2-dodecoxyethyl ethaneperoxoate
CID 87945521
2-(2-hydroxyethylperoxy)ethanol;methoxymethane
CID 174905336
chloro acetate;2-(2-hydroxyethoxy)ethanol
CID 170842530
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-hydroxyethyl octadecaneperoxoate
CID 87676050
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 87238354

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate?
The IUPAC name of ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate (CID 174290784) is ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate.
What is the SMILES notation for ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate?
The canonical SMILES for ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate is CC(=O)OOCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate?
The InChIKey is CJLZMIHIPRGWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4.C2H6O2/c1-4(6)8-7-3-2-5;3-1-2-4/h5H,2-3H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate?
ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate has a molecular weight of 182.17 g/mol, XLogP of -1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate is sourced from PubChem (CID 174290784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).