ethane;bis(yttrium);hydrate

C4H12OY2-2 — CID 58607830

IUPACethane;bis(yttrium);hydrate
SMILESO.[CH2-]C.[CH2-]C.[Y].[Y]
InChIInChI=1S/2C2H5.H2O.2Y/c2*1-2;;;/h2*1H2,2H3;1H2;;/q2*-1;;;
InChIKeyITJIGZALUOFTMS-UHFFFAOYSA-N
MW253.95 g/mol
LogP0.85
Rot. Bonds

About ethane;bis(yttrium);hydrate

ethane;bis(yttrium);hydrate (PubChem CID 58607830) has the molecular formula C4H12OY2-2 and a molecular weight of 253.95 g/mol. Its IUPAC name is ethane;bis(yttrium);hydrate.

Molecular Properties

Compound Nameethane;bis(yttrium);hydrate
PubChem CID58607830
Molecular FormulaC4H12OY2-2
Molecular Weight253.95 g/mol
Exact Mass253.90
IUPAC Nameethane;bis(yttrium);hydrate
SMILESO.[CH2-]C.[CH2-]C.[Y].[Y]
InChIInChI=1S/2C2H5.H2O.2Y/c2*1-2;;;/h2*1H2,2H3;1H2;;/q2*-1;;;
InChIKeyITJIGZALUOFTMS-UHFFFAOYSA-N
XLogP0.85
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.95
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;bis(yttrium);hydrate 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

ethane;iron(4+);hydrate
CID 172714198
aluminum;ethane;chloride
CID 15978374
carbanide;ethane;methane;tetradecakis(yttrium)
CID 163542772
carbanide;ethane;methane;yttrium
CID 160665272
ethane;methane;methanethiolate;yttrium
CID 159220201
dimagnesium;carbanide;ethane;bromide;chloride
CID 88742994
ethane;niobium(5+)
CID 78063946
ethane;terbium
CID 154145929
bis(chromium(3+));ethane
CID 158634521
ethane;lanthanum
CID 152732486
ethane;bis(rhodium)
CID 58820581
CID 159728628
CID 159728628

Frequently Asked Questions

What is the IUPAC name of ethane;bis(yttrium);hydrate?
The IUPAC name of ethane;bis(yttrium);hydrate (CID 58607830) is ethane;bis(yttrium);hydrate.
What is the SMILES notation for ethane;bis(yttrium);hydrate?
The canonical SMILES for ethane;bis(yttrium);hydrate is O.[CH2-]C.[CH2-]C.[Y].[Y].
What is the InChIKey of ethane;bis(yttrium);hydrate?
The InChIKey is ITJIGZALUOFTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5.H2O.2Y/c2*1-2;;;/h2*1H2,2H3;1H2;;/q2*-1;;;.
What are the key properties of ethane;bis(yttrium);hydrate?
ethane;bis(yttrium);hydrate has a molecular weight of 253.95 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(yttrium);hydrate is sourced from PubChem (CID 58607830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).