methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)

C19H60O6Y2 — CID 159329704

IUPACmethane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
SMILESC.C.C.C.C.C.C.C.C.C.OCCC1CO1.OCCC1CO1.OCO.[Y].[Y]
InChIInChI=1S/2C4H8O2.CH4O2.10CH4.2Y/c2*5-2-1-4-3-6-4;2-1-3;;;;;;;;;;;;/h2*4-5H,1-3H2;2-3H,1H2;10*1H4;;
InChIKeyFKLSQFSTLCZEAT-UHFFFAOYSA-N
MW562.50 g/mol
LogP4.82
Rot. Bonds4

About methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)

methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium) (PubChem CID 159329704) has the molecular formula C19H60O6Y2 and a molecular weight of 562.50 g/mol. Its IUPAC name is methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium).

Molecular Properties

Compound Namemethane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
PubChem CID159329704
Molecular FormulaC19H60O6Y2
Molecular Weight562.50 g/mol
Exact Mass562.25
IUPAC Namemethane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
SMILESC.C.C.C.C.C.C.C.C.C.OCCC1CO1.OCCC1CO1.OCO.[Y].[Y]
InChIInChI=1S/2C4H8O2.CH4O2.10CH4.2Y/c2*5-2-1-4-3-6-4;2-1-3;;;;;;;;;;;;/h2*4-5H,1-3H2;2-3H,1H2;10*1H4;;
InChIKeyFKLSQFSTLCZEAT-UHFFFAOYSA-N
XLogP4.82
TPSA105.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.50
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(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

2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947
ethanol;ethylcyclopropane;hexane-1,3,6-triol;bis(methanediol);2-(oxiran-2-yl)ethanol;tetrakis(yttrium)
CID 157123319
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
2-[(2S,5R)-5-aminooxan-2-yl]ethanol
CID 89051551
2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
CID 61234302
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
ethane-1,2-diol;2-ethyloxirane
CID 23290341
1,7-bis(oxiran-2-yl)heptan-4-ol;methane
CID 160991643
4-(oxiran-2-yl)butan-1-ol;trimethoxysilane
CID 175102290
1,5-bis(oxiran-2-yl)pentan-3-ol
CID 20657102

Frequently Asked Questions

What is the IUPAC name of methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)?
The IUPAC name of methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium) (CID 159329704) is methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium).
What is the SMILES notation for methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)?
The canonical SMILES for methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium) is C.C.C.C.C.C.C.C.C.C.OCCC1CO1.OCCC1CO1.OCO.[Y].[Y].
What is the InChIKey of methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)?
The InChIKey is FKLSQFSTLCZEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2.CH4O2.10CH4.2Y/c2*5-2-1-4-3-6-4;2-1-3;;;;;;;;;;;;/h2*4-5H,1-3H2;2-3H,1H2;10*1H4;;.
What are the key properties of methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)?
methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium) has a molecular weight of 562.50 g/mol, XLogP of 4.82, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium) is sourced from PubChem (CID 159329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).