acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate

C4H20O8 — CID 158259676

IUPACacetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate
SMILESCC=O.CCO.O.O.OO.OO.[H][2H]
InChIInChI=1S/C2H6O.C2H4O.2H2O2.2H2O.H2/c2*1-2-3;2*1-2;;;/h3H,2H2,1H3;2H,1H3;2*1-2H;2*1H2;1H/i;;;;;;1+1
InChIKeyXVLCUIDLCWAGEN-KTTJZPQESA-N
MW197.20 g/mol
LogP-1.16
Rot. Bonds

About acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate

acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate (PubChem CID 158259676) has the molecular formula C4H20O8 and a molecular weight of 197.20 g/mol. Its IUPAC name is acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate.

Molecular Properties

Compound Nameacetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate
PubChem CID158259676
Molecular FormulaC4H20O8
Molecular Weight197.20 g/mol
Exact Mass197.12
IUPAC Nameacetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate
SMILESCC=O.CCO.O.O.OO.OO.[H][2H]
InChIInChI=1S/C2H6O.C2H4O.2H2O2.2H2O.H2/c2*1-2-3;2*1-2;;;/h3H,2H2,1H3;2H,1H3;2*1-2H;2*1H2;1H/i;;;;;;1+1
InChIKeyXVLCUIDLCWAGEN-KTTJZPQESA-N
XLogP-1.16
TPSA181.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate?
The IUPAC name of acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate (CID 158259676) is acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate.
What is the SMILES notation for acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate?
The canonical SMILES for acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate is CC=O.CCO.O.O.OO.OO.[H][2H].
What is the InChIKey of acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate?
The InChIKey is XVLCUIDLCWAGEN-KTTJZPQESA-N. The full InChI is InChI=1S/C2H6O.C2H4O.2H2O2.2H2O.H2/c2*1-2-3;2*1-2;;;/h3H,2H2,1H3;2H,1H3;2*1-2H;2*1H2;1H/i;;;;;;1+1.
What are the key properties of acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate?
acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate has a molecular weight of 197.20 g/mol, XLogP of -1.16, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;deuterium monohydride;ethanol;hydrogen peroxide;dihydrate is sourced from PubChem (CID 158259676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).