ethane;ethanone;methanol;1-phenylethanone;yttrium

C13H21O3Y- — CID 158237504

IUPACethane;ethanone;methanol;1-phenylethanone;yttrium
SMILESCC.CC(=O)c1ccccc1.CO.C[C-]=O.[Y]
InChIInChI=1S/C8H8O.C2H3O.C2H6.CH4O.Y/c1-7(9)8-5-3-2-4-6-8;1-2-3;2*1-2;/h2-6H,1H3;1H3;1-2H3;2H,1H3;/q;-1;;;
InChIKeyMVFQYWYDCRYOPI-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.64
Rot. Bonds1

About ethane;ethanone;methanol;1-phenylethanone;yttrium

ethane;ethanone;methanol;1-phenylethanone;yttrium (PubChem CID 158237504) has the molecular formula C13H21O3Y- and a molecular weight of 314.21 g/mol. Its IUPAC name is ethane;ethanone;methanol;1-phenylethanone;yttrium.

Molecular Properties

Compound Nameethane;ethanone;methanol;1-phenylethanone;yttrium
PubChem CID158237504
Molecular FormulaC13H21O3Y-
Molecular Weight314.21 g/mol
Exact Mass314.06
IUPAC Nameethane;ethanone;methanol;1-phenylethanone;yttrium
SMILESCC.CC(=O)c1ccccc1.CO.C[C-]=O.[Y]
InChIInChI=1S/C8H8O.C2H3O.C2H6.CH4O.Y/c1-7(9)8-5-3-2-4-6-8;1-2-3;2*1-2;/h2-6H,1H3;1H3;1-2H3;2H,1H3;/q;-1;;;
InChIKeyMVFQYWYDCRYOPI-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 3102
CID 3102
CID 4055
CID 4055
CID 7410
CID 7410
CID 7148
CID 7148
CID 11363
CID 11363
CID 637760
CID 637760
CID 8433
CID 8433
CID 8651
CID 8651
CID 7166
CID 7166
CID 8500
CID 8500
CID 9688
CID 9688
CID 11340
CID 11340

Frequently Asked Questions

What is the IUPAC name of ethane;ethanone;methanol;1-phenylethanone;yttrium?
The IUPAC name of ethane;ethanone;methanol;1-phenylethanone;yttrium (CID 158237504) is ethane;ethanone;methanol;1-phenylethanone;yttrium.
What is the SMILES notation for ethane;ethanone;methanol;1-phenylethanone;yttrium?
The canonical SMILES for ethane;ethanone;methanol;1-phenylethanone;yttrium is CC.CC(=O)c1ccccc1.CO.C[C-]=O.[Y].
What is the InChIKey of ethane;ethanone;methanol;1-phenylethanone;yttrium?
The InChIKey is MVFQYWYDCRYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C2H3O.C2H6.CH4O.Y/c1-7(9)8-5-3-2-4-6-8;1-2-3;2*1-2;/h2-6H,1H3;1H3;1-2H3;2H,1H3;/q;-1;;;.
What are the key properties of ethane;ethanone;methanol;1-phenylethanone;yttrium?
ethane;ethanone;methanol;1-phenylethanone;yttrium has a molecular weight of 314.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanone;methanol;1-phenylethanone;yttrium is sourced from PubChem (CID 158237504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).