carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate

C17H57O12Y2- — CID 157374425

IUPACcarbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate
SMILESC.C.C.C.C.C.C.C.CC.CC.CC.O.O.O.O=[C-]OOC(=O)OOC(=O)OO.[Y].[Y]
InChIInChI=1S/C3HO9.3C2H6.8CH4.3H2O.2Y/c4-1-8-10-3(6)12-11-2(5)9-7;3*1-2;;;;;;;;;;;;;/h7H;3*1-2H3;8*1H4;3*1H2;;/q-1;;;;;;;;;;;;;;;;
InChIKeyHKUZSIXSQFWDRX-UHFFFAOYSA-N
MW631.44 g/mol
LogP5.37
Rot. Bonds2

About carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate

carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate (PubChem CID 157374425) has the molecular formula C17H57O12Y2- and a molecular weight of 631.44 g/mol. Its IUPAC name is carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate.

Molecular Properties

Compound Namecarbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate
PubChem CID157374425
Molecular FormulaC17H57O12Y2-
Molecular Weight631.44 g/mol
Exact Mass631.20
IUPAC Namecarbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate
SMILESC.C.C.C.C.C.C.C.CC.CC.CC.O.O.O.O=[C-]OOC(=O)OOC(=O)OO.[Y].[Y]
InChIInChI=1S/C3HO9.3C2H6.8CH4.3H2O.2Y/c4-1-8-10-3(6)12-11-2(5)9-7;3*1-2;;;;;;;;;;;;;/h7H;3*1-2H3;8*1H4;3*1H2;;/q-1;;;;;;;;;;;;;;;;
InChIKeyHKUZSIXSQFWDRX-UHFFFAOYSA-N
XLogP5.37
TPSA212.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate?
The IUPAC name of carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate (CID 157374425) is carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate.
What is the SMILES notation for carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate?
The canonical SMILES for carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate is C.C.C.C.C.C.C.C.CC.CC.CC.O.O.O.O=[C-]OOC(=O)OOC(=O)OO.[Y].[Y].
What is the InChIKey of carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate?
The InChIKey is HKUZSIXSQFWDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HO9.3C2H6.8CH4.3H2O.2Y/c4-1-8-10-3(6)12-11-2(5)9-7;3*1-2;;;;;;;;;;;;;/h7H;3*1-2H3;8*1H4;3*1H2;;/q-1;;;;;;;;;;;;;;;;.
What are the key properties of carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate?
carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate has a molecular weight of 631.44 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbonoperoxoyloxy oxomethoxy carbonate;ethane;methane;bis(yttrium);trihydrate is sourced from PubChem (CID 157374425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).