propanal;propane;yttrium

C6H14OY — CID 161083042

IUPACpropanal;propane;yttrium
SMILESCCC.CCC=O.[Y]
InChIInChI=1S/C3H6O.C3H8.Y/c1-2-3-4;1-3-2;/h3H,2H2,1H3;3H2,1-2H3;
InChIKeyXKRTVYWBGIZTEB-UHFFFAOYSA-N
MW191.08 g/mol
LogP2.01
Rot. Bonds1

About propanal;propane;yttrium

propanal;propane;yttrium (PubChem CID 161083042) has the molecular formula C6H14OY and a molecular weight of 191.08 g/mol. Its IUPAC name is propanal;propane;yttrium.

Molecular Properties

Compound Namepropanal;propane;yttrium
PubChem CID161083042
Molecular FormulaC6H14OY
Molecular Weight191.08 g/mol
Exact Mass191.01
IUPAC Namepropanal;propane;yttrium
SMILESCCC.CCC=O.[Y]
InChIInChI=1S/C3H6O.C3H8.Y/c1-2-3-4;1-3-2;/h3H,2H2,1H3;3H2,1-2H3;
InChIKeyXKRTVYWBGIZTEB-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanal;propane;yttrium?
The IUPAC name of propanal;propane;yttrium (CID 161083042) is propanal;propane;yttrium.
What is the SMILES notation for propanal;propane;yttrium?
The canonical SMILES for propanal;propane;yttrium is CCC.CCC=O.[Y].
What is the InChIKey of propanal;propane;yttrium?
The InChIKey is XKRTVYWBGIZTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8.Y/c1-2-3-4;1-3-2;/h3H,2H2,1H3;3H2,1-2H3;.
What are the key properties of propanal;propane;yttrium?
propanal;propane;yttrium has a molecular weight of 191.08 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanal;propane;yttrium is sourced from PubChem (CID 161083042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).