acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)

C17H24OPY2- — CID 162114590

IUPACacetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)
SMILESCC.CC=O.[CH3-].[Y].[Y].c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C2H4O.C2H6.CH3.2Y/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3;1-2;;;/h1-10,13H;2H,1H3;1-2H3;1H3;;/q;;;-1;;
InChIKeyMQQRFYQRSLECDH-UHFFFAOYSA-N
MW453.16 g/mol
LogP3.99
Rot. Bonds2

About acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)

acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium) (PubChem CID 162114590) has the molecular formula C17H24OPY2- and a molecular weight of 453.16 g/mol. Its IUPAC name is acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium).

Molecular Properties

Compound Nameacetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)
PubChem CID162114590
Molecular FormulaC17H24OPY2-
Molecular Weight453.16 g/mol
Exact Mass452.97
IUPAC Nameacetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)
SMILESCC.CC=O.[CH3-].[Y].[Y].c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C2H4O.C2H6.CH3.2Y/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3;1-2;;;/h1-10,13H;2H,1H3;1-2H3;1H3;;/q;;;-1;;
InChIKeyMQQRFYQRSLECDH-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)?
The IUPAC name of acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium) (CID 162114590) is acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium).
What is the SMILES notation for acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)?
The canonical SMILES for acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium) is CC.CC=O.[CH3-].[Y].[Y].c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)?
The InChIKey is MQQRFYQRSLECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C2H4O.C2H6.CH3.2Y/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3;1-2;;;/h1-10,13H;2H,1H3;1-2H3;1H3;;/q;;;-1;;.
What are the key properties of acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium)?
acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium) has a molecular weight of 453.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;carbanide;diphenylphosphane;ethane;bis(yttrium) is sourced from PubChem (CID 162114590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).