acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride

C15H59ClI2O8 — CID 159067640

IUPACacetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride
SMILESC.C.C.C.C.C.C.C.C.C.C.CC=O.CCO.Cl.II.O=O.OO.OO
InChIInChI=1S/C2H6O.C2H4O.11CH4.ClH.I2.2H2O2.O2/c2*1-2-3;;;;;;;;;;;;;4*1-2/h3H,2H2,1H3;2H,1H3;11*1H4;1H;;2*1-2H;
InChIKeyYEOCXCGAOBRPPV-UHFFFAOYSA-N
MW656.89 g/mol
LogP9.50
Rot. Bonds

About acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride

acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride (PubChem CID 159067640) has the molecular formula C15H59ClI2O8 and a molecular weight of 656.89 g/mol. Its IUPAC name is acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride.

Molecular Properties

Compound Nameacetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride
PubChem CID159067640
Molecular FormulaC15H59ClI2O8
Molecular Weight656.89 g/mol
Exact Mass656.20
IUPAC Nameacetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride
SMILESC.C.C.C.C.C.C.C.C.C.C.CC=O.CCO.Cl.II.O=O.OO.OO
InChIInChI=1S/C2H6O.C2H4O.11CH4.ClH.I2.2H2O2.O2/c2*1-2-3;;;;;;;;;;;;;4*1-2/h3H,2H2,1H3;2H,1H3;11*1H4;1H;;2*1-2H;
InChIKeyYEOCXCGAOBRPPV-UHFFFAOYSA-N
XLogP9.50
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.89
LogP ≤ 59.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride?
The IUPAC name of acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride (CID 159067640) is acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride.
What is the SMILES notation for acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride?
The canonical SMILES for acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride is C.C.C.C.C.C.C.C.C.C.C.CC=O.CCO.Cl.II.O=O.OO.OO.
What is the InChIKey of acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride?
The InChIKey is YEOCXCGAOBRPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.C2H4O.11CH4.ClH.I2.2H2O2.O2/c2*1-2-3;;;;;;;;;;;;;4*1-2/h3H,2H2,1H3;2H,1H3;11*1H4;1H;;2*1-2H;.
What are the key properties of acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride?
acetaldehyde;ethanol;hydrogen peroxide;methane;molecular iodine;molecular oxygen;hydrochloride has a molecular weight of 656.89 g/mol, XLogP of 9.50, 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 iodine;molecular oxygen;hydrochloride is sourced from PubChem (CID 159067640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).