ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium

C13H32O6Y-2 — CID 162042951

IUPACethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium
SMILESC.C.C.C.CCOC(C)=O.COCO[C-]=O.C[C-]=O.[Y]
InChIInChI=1S/C4H8O2.C3H5O3.C2H3O.4CH4.Y/c1-3-6-4(2)5;1-5-3-6-2-4;1-2-3;;;;;/h3H2,1-2H3;3H2,1H3;1H3;4*1H4;/q;2*-1;;;;;
InChIKeySUKRSAKFECAYLE-UHFFFAOYSA-N
MW373.30 g/mol
LogP2.90
Rot. Bonds4

About ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium

ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium (PubChem CID 162042951) has the molecular formula C13H32O6Y-2 and a molecular weight of 373.30 g/mol. Its IUPAC name is ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium.

Molecular Properties

Compound Nameethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium
PubChem CID162042951
Molecular FormulaC13H32O6Y-2
Molecular Weight373.30 g/mol
Exact Mass373.13
IUPAC Nameethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium
SMILESC.C.C.C.CCOC(C)=O.COCO[C-]=O.C[C-]=O.[Y]
InChIInChI=1S/C4H8O2.C3H5O3.C2H3O.4CH4.Y/c1-3-6-4(2)5;1-5-3-6-2-4;1-2-3;;;;;/h3H2,1-2H3;3H2,1H3;1H3;4*1H4;/q;2*-1;;;;;
InChIKeySUKRSAKFECAYLE-UHFFFAOYSA-N
XLogP2.90
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethanone;ethyl acetate;methane;methoxymethoxymethanone;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

1,2-dimethoxyethane;ethyl acetate
CID 87198031
ethyl acetate;methoxyethane;propane
CID 159041410
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679

Frequently Asked Questions

What is the IUPAC name of ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium?
The IUPAC name of ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium (CID 162042951) is ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium.
What is the SMILES notation for ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium?
The canonical SMILES for ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium is C.C.C.C.CCOC(C)=O.COCO[C-]=O.C[C-]=O.[Y].
What is the InChIKey of ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium?
The InChIKey is SUKRSAKFECAYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H5O3.C2H3O.4CH4.Y/c1-3-6-4(2)5;1-5-3-6-2-4;1-2-3;;;;;/h3H2,1-2H3;3H2,1H3;1H3;4*1H4;/q;2*-1;;;;;.
What are the key properties of ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium?
ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium has a molecular weight of 373.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;ethyl acetate;methane;methoxymethoxymethanone;yttrium is sourced from PubChem (CID 162042951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).