carbanide;ethane;2-phenylprop-1-en-1-one;yttrium

C14H23OY- — CID 157232453

IUPACcarbanide;ethane;2-phenylprop-1-en-1-one;yttrium
SMILESCC.CC.CC(=C=O)c1ccccc1.[CH3-].[Y]
InChIInChI=1S/C9H8O.2C2H6.CH3.Y/c1-8(7-10)9-5-3-2-4-6-9;2*1-2;;/h2-6H,1H3;2*1-2H3;1H3;/q;;;-1;
InChIKeyVFXBHJPVPWZHSZ-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.42
Rot. Bonds1

About carbanide;ethane;2-phenylprop-1-en-1-one;yttrium

carbanide;ethane;2-phenylprop-1-en-1-one;yttrium (PubChem CID 157232453) has the molecular formula C14H23OY- and a molecular weight of 296.24 g/mol. Its IUPAC name is carbanide;ethane;2-phenylprop-1-en-1-one;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;2-phenylprop-1-en-1-one;yttrium
PubChem CID157232453
Molecular FormulaC14H23OY-
Molecular Weight296.24 g/mol
Exact Mass296.08
IUPAC Namecarbanide;ethane;2-phenylprop-1-en-1-one;yttrium
SMILESCC.CC.CC(=C=O)c1ccccc1.[CH3-].[Y]
InChIInChI=1S/C9H8O.2C2H6.CH3.Y/c1-8(7-10)9-5-3-2-4-6-9;2*1-2;;/h2-6H,1H3;2*1-2H3;1H3;/q;;;-1;
InChIKeyVFXBHJPVPWZHSZ-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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diphenylmethanone;ethane
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1-(cyclotetradecaheptaenyl)ethanone
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diphenylmethanimine;ethane
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2-methoxy-2-phenylethenone
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CID 143067772
ethane;1-phenylpropane-1,2-dione
CID 91588764
ethane;ethanone;methanol;1-phenylethanone;yttrium
CID 158237504
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
2-oxo-2-phenylacetic acid;yttrium
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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;2-phenylprop-1-en-1-one;yttrium?
The IUPAC name of carbanide;ethane;2-phenylprop-1-en-1-one;yttrium (CID 157232453) is carbanide;ethane;2-phenylprop-1-en-1-one;yttrium.
What is the SMILES notation for carbanide;ethane;2-phenylprop-1-en-1-one;yttrium?
The canonical SMILES for carbanide;ethane;2-phenylprop-1-en-1-one;yttrium is CC.CC.CC(=C=O)c1ccccc1.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;2-phenylprop-1-en-1-one;yttrium?
The InChIKey is VFXBHJPVPWZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.2C2H6.CH3.Y/c1-8(7-10)9-5-3-2-4-6-9;2*1-2;;/h2-6H,1H3;2*1-2H3;1H3;/q;;;-1;.
What are the key properties of carbanide;ethane;2-phenylprop-1-en-1-one;yttrium?
carbanide;ethane;2-phenylprop-1-en-1-one;yttrium has a molecular weight of 296.24 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;2-phenylprop-1-en-1-one;yttrium is sourced from PubChem (CID 157232453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).