methanol;propan-1-one;yttrium

C4H8O2Y-2 — CID 59124432

IUPACmethanol;propan-1-one;yttrium
SMILESCC[C-]=O.[CH2-]O.[Y]
InChIInChI=1S/C3H5O.CH3O.Y/c1-2-3-4;1-2;/h2H2,1H3;2H,1H2;/q2*-1;
InChIKeyQNJIGTWBKCJVKV-UHFFFAOYSA-N
MW177.01 g/mol
LogP0.65
Rot. Bonds1

About methanol;propan-1-one;yttrium

methanol;propan-1-one;yttrium (PubChem CID 59124432) has the molecular formula C4H8O2Y-2 and a molecular weight of 177.01 g/mol. Its IUPAC name is methanol;propan-1-one;yttrium.

Molecular Properties

Compound Namemethanol;propan-1-one;yttrium
PubChem CID59124432
Molecular FormulaC4H8O2Y-2
Molecular Weight177.01 g/mol
Exact Mass176.96
IUPAC Namemethanol;propan-1-one;yttrium
SMILESCC[C-]=O.[CH2-]O.[Y]
InChIInChI=1S/C3H5O.CH3O.Y/c1-2-3-4;1-2;/h2H2,1H3;2H,1H2;/q2*-1;
InChIKeyQNJIGTWBKCJVKV-UHFFFAOYSA-N
XLogP0.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.01
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methanol;propan-1-one;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-1-one;yttrium(3+)
CID 21337115
propan-1-one;rutherfordium
CID 59964836
manganese;methanone;propan-1-one
CID 88800461
tripotassium;carbanide;ethane;ethanone;propan-1-one
CID 59965042
butane;ethanone;tungsten;yttrium
CID 158462675
magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride
CID 174998583
carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium
CID 91867737
tetrakis(butan-1-one);zirconium(4+)
CID 87573638
but-1-ene;yttrium
CID 59973470
2-oxoethyl acetate;yttrium
CID 59942705
tridecan-1-one;zirconium(4+);trichloride
CID 159832602
carbanide;ethane;ethylaminomethanone;methane;bis(yttrium)
CID 158310887

Frequently Asked Questions

What is the IUPAC name of methanol;propan-1-one;yttrium?
The IUPAC name of methanol;propan-1-one;yttrium (CID 59124432) is methanol;propan-1-one;yttrium.
What is the SMILES notation for methanol;propan-1-one;yttrium?
The canonical SMILES for methanol;propan-1-one;yttrium is CC[C-]=O.[CH2-]O.[Y].
What is the InChIKey of methanol;propan-1-one;yttrium?
The InChIKey is QNJIGTWBKCJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O.CH3O.Y/c1-2-3-4;1-2;/h2H2,1H3;2H,1H2;/q2*-1;.
What are the key properties of methanol;propan-1-one;yttrium?
methanol;propan-1-one;yttrium has a molecular weight of 177.01 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;propan-1-one;yttrium is sourced from PubChem (CID 59124432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).