acetaldehyde;benzene;methanol;yttrium

C18H26O4Y-2 — CID 158728072

IUPACacetaldehyde;benzene;methanol;yttrium
SMILESCC=O.CC=O.CO.CO.[Y].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.2C2H4O.2CH4O.Y/c2*1-2-4-6-5-3-1;2*1-2-3;2*1-2;/h2*1-5H;2*2H,1H3;2*2H,1H3;/q2*-1;;;;;
InChIKeyWERUPBAPSQCHBJ-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.60
Rot. Bonds

About acetaldehyde;benzene;methanol;yttrium

acetaldehyde;benzene;methanol;yttrium (PubChem CID 158728072) has the molecular formula C18H26O4Y-2 and a molecular weight of 395.31 g/mol. Its IUPAC name is acetaldehyde;benzene;methanol;yttrium.

Molecular Properties

Compound Nameacetaldehyde;benzene;methanol;yttrium
PubChem CID158728072
Molecular FormulaC18H26O4Y-2
Molecular Weight395.31 g/mol
Exact Mass395.09
IUPAC Nameacetaldehyde;benzene;methanol;yttrium
SMILESCC=O.CC=O.CO.CO.[Y].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.2C2H4O.2CH4O.Y/c2*1-2-4-6-5-3-1;2*1-2-3;2*1-2;/h2*1-5H;2*2H,1H3;2*2H,1H3;/q2*-1;;;;;
InChIKeyWERUPBAPSQCHBJ-UHFFFAOYSA-N
XLogP2.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;benzene;methanol;yttrium?
The IUPAC name of acetaldehyde;benzene;methanol;yttrium (CID 158728072) is acetaldehyde;benzene;methanol;yttrium.
What is the SMILES notation for acetaldehyde;benzene;methanol;yttrium?
The canonical SMILES for acetaldehyde;benzene;methanol;yttrium is CC=O.CC=O.CO.CO.[Y].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of acetaldehyde;benzene;methanol;yttrium?
The InChIKey is WERUPBAPSQCHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C2H4O.2CH4O.Y/c2*1-2-4-6-5-3-1;2*1-2-3;2*1-2;/h2*1-5H;2*2H,1H3;2*2H,1H3;/q2*-1;;;;;.
What are the key properties of acetaldehyde;benzene;methanol;yttrium?
acetaldehyde;benzene;methanol;yttrium has a molecular weight of 395.31 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;benzene;methanol;yttrium is sourced from PubChem (CID 158728072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).