acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate

C15H30O14Y — CID 161327837

IUPACacetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate
SMILESC.C=O.C=O.C=O.C=O.C=O.CC.CC=O.CC=O.O.O=C=O.O=C=O.O=C=O.[Y]
InChIInChI=1S/2C2H4O.C2H6.3CO2.5CH2O.CH4.H2O.Y/c2*1-2-3;1-2;3*2-1-3;5*1-2;;;/h2*2H,1H3;1-2H3;;;;5*1H2;1H4;1H2;
InChIKeyZSWHHJGANIOOLK-UHFFFAOYSA-N
MW523.30 g/mol
LogP-1.43
Rot. Bonds

About acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate

acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate (PubChem CID 161327837) has the molecular formula C15H30O14Y and a molecular weight of 523.30 g/mol. Its IUPAC name is acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate.

Molecular Properties

Compound Nameacetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate
PubChem CID161327837
Molecular FormulaC15H30O14Y
Molecular Weight523.30 g/mol
Exact Mass523.07
IUPAC Nameacetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate
SMILESC.C=O.C=O.C=O.C=O.C=O.CC.CC=O.CC=O.O.O=C=O.O=C=O.O=C=O.[Y]
InChIInChI=1S/2C2H4O.C2H6.3CO2.5CH2O.CH4.H2O.Y/c2*1-2-3;1-2;3*2-1-3;5*1-2;;;/h2*2H,1H3;1-2H3;;;;5*1H2;1H4;1H2;
InChIKeyZSWHHJGANIOOLK-UHFFFAOYSA-N
XLogP-1.43
TPSA253.41 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.30
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde;carbon dioxide;prop-1-ene
CID 88717372
acetaldehyde;ethane;methane
CID 159605506
acetaldehyde;formaldehyde
CID 162213164
acetaldehyde;carbon dioxide;formic acid;methane
CID 162220737
potassium;acetaldehyde;chloride
CID 174943884
acetaldehyde
CID 158130567
ethane;formaldehyde;hydrate
CID 173433159
acetaldehyde;formaldehyde;2-methylpropane
CID 157456500
acetaldehyde;formaldehyde;formic acid
CID 159516421
acetaldehyde;acetonitrile
CID 86033370
acetaldehyde;azane;ethane;methanamine;methane
CID 161031080
carbon dioxide;formaldehyde;molecular hydrogen;hydrate
CID 158435907

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate?
The IUPAC name of acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate (CID 161327837) is acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate.
What is the SMILES notation for acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate?
The canonical SMILES for acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate is C.C=O.C=O.C=O.C=O.C=O.CC.CC=O.CC=O.O.O=C=O.O=C=O.O=C=O.[Y].
What is the InChIKey of acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate?
The InChIKey is ZSWHHJGANIOOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O.C2H6.3CO2.5CH2O.CH4.H2O.Y/c2*1-2-3;1-2;3*2-1-3;5*1-2;;;/h2*2H,1H3;1-2H3;;;;5*1H2;1H4;1H2;.
What are the key properties of acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate?
acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate has a molecular weight of 523.30 g/mol, XLogP of -1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;tris(carbon dioxide);ethane;formaldehyde;methane;yttrium;hydrate is sourced from PubChem (CID 161327837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).