pentan-3-one;yttrium

C5H9OY- — CID 59118360

IUPACpentan-3-one;yttrium
SMILESC[CH-]C(=O)CC.[Y]
InChIInChI=1S/C5H9O.Y/c1-3-5(6)4-2;/h3H,4H2,1-2H3;/q-1;
InChIKeyNAHBSBMTCVRLOM-UHFFFAOYSA-N
MW174.03 g/mol
LogP1.19
Rot. Bonds2

About pentan-3-one;yttrium

pentan-3-one;yttrium (PubChem CID 59118360) has the molecular formula C5H9OY- and a molecular weight of 174.03 g/mol. Its IUPAC name is pentan-3-one;yttrium.

Molecular Properties

Compound Namepentan-3-one;yttrium
PubChem CID59118360
Molecular FormulaC5H9OY-
Molecular Weight174.03 g/mol
Exact Mass173.97
IUPAC Namepentan-3-one;yttrium
SMILESC[CH-]C(=O)CC.[Y]
InChIInChI=1S/C5H9O.Y/c1-3-5(6)4-2;/h3H,4H2,1-2H3;/q-1;
InChIKeyNAHBSBMTCVRLOM-UHFFFAOYSA-N
XLogP1.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.03
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;bis(pentan-3-one);bis(yttrium)
CID 159667627
propanoyl (113C)propanoate
CID 91179573
1-aminobutan-2-one;rhenium
CID 163779097
propanoic acid;yttrium
CID 59015039
dipentanoyl hexanedioate
CID 174373362
dipropanoyl butanedioate
CID 146216618
zinc;propanoic acid;dichloride
CID 173391175
ditetradecanoyl hexanedioate
CID 175560209
pentadecanoyl hexadecanoate
CID 87499774
europium(3+);hexanoyl hexanoate;trichloride
CID 174528713
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of pentan-3-one;yttrium?
The IUPAC name of pentan-3-one;yttrium (CID 59118360) is pentan-3-one;yttrium.
What is the SMILES notation for pentan-3-one;yttrium?
The canonical SMILES for pentan-3-one;yttrium is C[CH-]C(=O)CC.[Y].
What is the InChIKey of pentan-3-one;yttrium?
The InChIKey is NAHBSBMTCVRLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Y/c1-3-5(6)4-2;/h3H,4H2,1-2H3;/q-1;.
What are the key properties of pentan-3-one;yttrium?
pentan-3-one;yttrium has a molecular weight of 174.03 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-one;yttrium is sourced from PubChem (CID 59118360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).