acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate

C6H26O10 — CID 158982623

IUPACacetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate
SMILESC.C.CC=O.CCO.O.O.O=O.OO.OO
InChIInChI=1S/C2H6O.C2H4O.2CH4.2H2O2.O2.2H2O/c2*1-2-3;;;3*1-2;;/h3H,2H2,1H3;2H,1H3;2*1H4;2*1-2H;;2*1H2
InChIKeyKPHFGXNECQILKL-UHFFFAOYSA-N
MW258.26 g/mol
LogP-0.07
Rot. Bonds

About acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate

acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate (PubChem CID 158982623) has the molecular formula C6H26O10 and a molecular weight of 258.26 g/mol. Its IUPAC name is acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate.

Molecular Properties

Compound Nameacetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate
PubChem CID158982623
Molecular FormulaC6H26O10
Molecular Weight258.26 g/mol
Exact Mass258.15
IUPAC Nameacetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate
SMILESC.C.CC=O.CCO.O.O.O=O.OO.OO
InChIInChI=1S/C2H6O.C2H4O.2CH4.2H2O2.O2.2H2O/c2*1-2-3;;;3*1-2;;/h3H,2H2,1H3;2H,1H3;2*1H4;2*1-2H;;2*1H2
InChIKeyKPHFGXNECQILKL-UHFFFAOYSA-N
XLogP-0.07
TPSA215.36 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate?
The IUPAC name of acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate (CID 158982623) is acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate.
What is the SMILES notation for acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate?
The canonical SMILES for acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate is C.C.CC=O.CCO.O.O.O=O.OO.OO.
What is the InChIKey of acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate?
The InChIKey is KPHFGXNECQILKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.C2H4O.2CH4.2H2O2.O2.2H2O/c2*1-2-3;;;3*1-2;;/h3H,2H2,1H3;2H,1H3;2*1H4;2*1-2H;;2*1H2.
What are the key properties of acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate?
acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate has a molecular weight of 258.26 g/mol, XLogP of -0.07, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethanol;hydrogen peroxide;methane;molecular oxygen;dihydrate is sourced from PubChem (CID 158982623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).